199507
  -OEChem-04232421172D

 48 52  0     1  0  0  0  0  0999 V2000
    2.8641    4.1219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0116    0.6186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5437    0.6183    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.8718    2.1219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5317   -3.5718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5277   -0.4232    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6616   -0.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3937   -0.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7436    0.6253    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6457    1.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6616   -1.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7516   -0.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3937   -1.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5277   -2.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8757    1.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5437   -3.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4155    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0116   -2.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7516   -2.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    2.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359    2.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6457   -3.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7436   -3.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2670   -0.0039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7424    1.2453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0043   -1.0308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6057   -0.3406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0466    1.6190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2484    1.6221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2183   -0.7325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7192    0.5678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9560    1.4121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1117    1.6488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6294   -2.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2183   -2.1138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8177   -4.1219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3929    2.7239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7940    2.0352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9502    2.0435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3460    2.7353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6481   -4.6124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2055   -3.7795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7857    4.2004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3898    3.5086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3430    3.5200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9418    4.2087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2 15  2  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  4 15  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 16  1  0  0  0  0
  5 18  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  1  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  1  0  0  0
  9 27  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 14  2  0  0  0  0
 11 19  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 16  1  0  0  0  0
 16 22  2  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 23  2  0  0  0  0
 19 37  1  0  0  0  0
 20 24  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 25  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
199507

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
571

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIEAAAAAAFjB8AAAHgAQAAAADSjhngY+wPPJlACoAzV3VACCgCAxAiAI2aE4ZJgKIOrA0ZGHIAhglgDYyAcQgMAOgAAAQAASAAAQAASAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholino-methanone

> <PUBCHEM_IUPAC_CAS_NAME>
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(4-morpholinyl)methanone

> <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]quinolin-9-yl]-morpholin-4-ylmethanone

> <PUBCHEM_IUPAC_NAME>
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-yl-methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholino-methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H23N3O2/c1-22-12-14(20(24)23-5-7-25-8-6-23)9-16-15-3-2-4-17-19(15)13(11-21-17)10-18(16)22/h2-4,9,11,14,18,21H,5-8,10,12H2,1H3/t14-,18-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
OTQWCDNEJVKXKG-RDTXWAMCSA-N

> <PUBCHEM_XLOGP3>
1.8

> <PUBCHEM_EXACT_MASS>
337.17902698

> <PUBCHEM_MOLECULAR_FORMULA>
C20H23N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
337.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)N5CCOCC5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N5CCOCC5

> <PUBCHEM_CACTVS_TPSA>
48.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
337.17902698

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
11  14  8
11  19  8
13  14  8
13  18  8
14  16  8
16  22  8
19  23  8
22  23  8
5  16  8
5  18  8
6  26  5
9  15  5

$$$$