10362429
  -OEChem-04292400162D

 51 54  0     0  0  0  0  0  0999 V2000
    2.0520    1.8137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8963    3.3452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6405   -3.3232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8372   -4.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    4.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    0.3137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -0.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001   -1.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021   -1.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    0.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    1.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    1.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    1.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7520   -1.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8937   -2.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161   -0.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7680    2.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5601    1.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7688   -2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8334   -3.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    3.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5681    2.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8847    4.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6521   -4.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -4.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5263    4.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8035    0.3922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3964   -0.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900   -1.1239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864   -1.8168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2829   -1.4281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3556   -3.1484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2061   -0.7232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0530   -0.4963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8261    0.3507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0934    1.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1062    3.1701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5046    4.3523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8775    4.9651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647    4.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0321   -4.3303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6592   -4.9431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2720   -4.3160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6610   -4.3506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374   -5.1984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2852   -5.4221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8383    4.3506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    5.1984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2142    5.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 19  1  0  0  0  0
  2 25  1  0  0  0  0
  3 21  1  0  0  0  0
  3 26  1  0  0  0  0
  4 22  1  0  0  0  0
  4 27  1  0  0  0  0
  5 23  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 15  2  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 16 21  1  0  0  0  0
 16 33  1  0  0  0  0
 17 22  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10362429

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
634

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAAAAAAAAAAAAAAAAA8YIEAAAAAAACxQAAAHgAAAAAADAzBmAYyBoMABACIAiVSUACCCAAkIAAIiAEOjMgNJjaEtRuEMWpm5hGKqQe62LKOoAABAAAYQABAAAIAADCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one

> <PUBCHEM_IUPAC_CAS_NAME>
2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one

> <PUBCHEM_IUPAC_NAME>
2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolin[2,1-b]isoquinolin-8-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H23NO5/c1-12-14-6-7-16(25-2)21(28-5)19(14)22(24)23-9-8-13-10-17(26-3)18(27-4)11-15(13)20(12)23/h6-7,10-11H,8-9H2,1-5H3

> <PUBCHEM_IUPAC_INCHIKEY>
YCRTZNIBHAKZMT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
381.15762283

> <PUBCHEM_MOLECULAR_FORMULA>
C22H23NO5

> <PUBCHEM_MOLECULAR_WEIGHT>
381.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C2C3=CC(=C(C=C3CCN2C(=O)C4=C1C=CC(=C4OC)OC)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C2C3=CC(=C(C=C3CCN2C(=O)C4=C1C=CC(=C4OC)OC)OC)OC

> <PUBCHEM_CACTVS_TPSA>
57.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
381.15762283

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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  11  8
10  16  8
11  17  8
12  13  8
13  15  8
13  20  8
14  15  8
15  19  8
16  21  8
17  22  8
19  23  8
20  24  8
21  22  8
23  24  8
6  14  8
6  7  8
7  12  8

$$$$
