101235373
  -OEChem-09302101202D

 69 74  0     1  0  0  0  0  0999 V2000
    3.7630   -1.4302    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.8304    0.8046    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0934    0.1376    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6964    0.3046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4985   -0.7702    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4872   -0.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5625    0.8046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1110    0.0309    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5625    1.8046    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9072   -0.9361    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8304    1.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6964    2.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9644    1.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4564    2.3393    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4564    0.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0079   -1.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7789   -2.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8914   -2.9809    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0000   -2.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625    1.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4313    3.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625    0.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5866    2.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625    3.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8953   -3.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3063    2.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3063    3.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7453    0.9130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2230   -0.4318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4274    1.6146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0518   -0.1998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -0.2090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034   -0.8517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3963   -1.5383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9969   -3.0398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3880   -2.3439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8996    1.1883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0239    1.2319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9802    0.3562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3551   -3.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900   -2.3555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864   -3.0483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2088    4.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8924    3.3719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0472    3.1385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2807    2.2933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7561    4.4599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9579    4.4507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2753   -3.9833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8977   -4.6009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5153   -3.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8420    2.0486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8420    3.7578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  6  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 29  1  1  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 30  1  1  0  0  0
  5  6  1  0  0  0  0
  5 31  1  1  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 18  1  1  0  0  0
  8 35  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 36  1  1  0  0  0
 10 16  1  0  0  0  0
 10 37  1  1  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
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 12 41  1  0  0  0  0
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 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
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 14 22  1  0  0  0  0
 14 24  1  6  0  0  0
 15 23  1  0  0  0  0
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 15 46  1  0  0  0  0
 16 20  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 19  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  1  0  0  0
 19 54  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 23  2  0  0  0  0
 21 27  1  0  0  0  0
 22 25  1  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
 23 59  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
 25 28  1  0  0  0  0
 25 63  1  0  0  0  0
 25 64  1  0  0  0  0
 26 65  1  0  0  0  0
 26 66  1  0  0  0  0
 26 67  1  0  0  0  0
 27 28  2  0  0  0  0
 27 68  1  0  0  0  0
 28 69  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
101235373

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
720

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6AAAAAAAAAAAAAAAAAAAAAeIAAAA8QIEAAAAWAHiAAAAAHAAAAAAADyjBAAQCAAMAAACAAiBCAAAAAAAgAAAICAAIAAgIAAIAgQAEAAAAgACIgAMQgMAPgAAAAAAAAACAAAQAACAAASAACQAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,2S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosa-4,6-diene

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,2S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosa-4,6-diene

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,2<I>S</I>,10<I>R</I>,11<I>S</I>,14<I>S</I>,15<I>R</I>,16<I>S</I>,17<I>R</I>,20<I>S</I>,23<I>S</I>)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0<SUP>2,11</SUP>.0<SUP>5,10</SUP>.0<SUP>15,23</SUP>.0<SUP>17,22</SUP>]tetracosa-4,6-diene

> <PUBCHEM_IUPAC_NAME>
(1S,2S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosa-4,6-diene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,2S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosa-4,6-diene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,2S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosa-4,6-diene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H41N/c1-17-8-11-23-18(2)25-24(28(23)16-17)15-22-20-10-9-19-7-5-6-13-26(19,3)21(20)12-14-27(22,25)4/h5,7,9,17-18,20-25H,6,8,10-16H2,1-4H3/t17-,18+,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
MVUKDQDMGIMFPT-LTLBHDAASA-N

> <PUBCHEM_XLOGP3_AA>
7.3

> <PUBCHEM_EXACT_MASS>
379.323900312

> <PUBCHEM_MOLECULAR_FORMULA>
C27H41N

> <PUBCHEM_MOLECULAR_WEIGHT>
379.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC=C6)C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CCC=C6)C)C)C

> <PUBCHEM_CACTVS_TPSA>
3.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
379.323900312

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
10

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  37  5
14  24  6
19  26  5
2  13  6
3  29  5
4  30  5
5  31  5
7  34  6
8  18  5
9  36  5

$$$$
