442072
  -OEChem-04192419502D

 37 40  0     1  0  0  0  0  0999 V2000
    2.0000    1.4626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5322    1.4623    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.5202   -2.7279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602    2.9659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    0.4208    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6501   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6341    1.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3821   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7401    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5322   -2.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4039    1.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -1.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7401   -1.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    1.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6341   -3.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2555    0.8401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9927   -0.1869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5942    0.5034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0351    2.4630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2368    2.4660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7308    2.0892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2068    0.1114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7077    1.4118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9444    2.2560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1001    2.4927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6179   -1.8058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2068   -1.2699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8062   -3.2780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6365   -3.7685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1939   -2.9356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3221    3.2738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3960    3.2780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  3 14  1  0  0  0  0
  3 16  1  0  0  0  0
  3 33  1  0  0  0  0
  4 18  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  1  0  0  0
  6 11  1  0  0  0  0
  6 13  2  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  1  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 19  2  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 20  2  0  0  0  0
 17 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
442072

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
461

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAAwYIAAAAAAAFjB8AAAHgAQAAAADSjBngQ+wPPJkACoAzV3VACCgCAxAiAI2aE4ZJgIIOrA0ZGEIAhgkADIyAcQgMAOgAAAQAASAAAQAASAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(6<I>a</I><I>R</I>,9<I>R</I>)-7-methyl-6,6<I>a</I>,8,9-tetrahydro-4<I>H</I>-indolo[4,3-fg]quinoline-9-carboxamide

> <PUBCHEM_IUPAC_NAME>
(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)/t10-,14-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
GENAHGKEFJLNJB-QMTHXVAHSA-N

> <PUBCHEM_XLOGP3>
1.6

> <PUBCHEM_EXACT_MASS>
267.137162174

> <PUBCHEM_MOLECULAR_FORMULA>
C16H17N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
267.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
62.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
267.137162174

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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  12  8
10  16  8
11  12  8
11  17  8
12  14  8
14  19  8
17  20  8
19  20  8
3  14  8
3  16  8
5  21  5
9  18  5

$$$$