199478
  -OEChem-05122414192D

 43 46  0     1  0  0  0  0  0999 V2000
    2.0077    1.3669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5399    1.3667    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.5279   -2.8235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    2.8702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5238    0.3252    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6578   -0.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3898   -0.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7398    1.3736    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6418    1.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3898   -1.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6578   -1.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5238   -1.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478    0.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5399   -2.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4116    1.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0078   -1.9532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    1.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478   -1.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6418   -3.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7398   -2.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2632    0.7445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0004   -0.2825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6019    0.4078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7386    1.9936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0428    2.3673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2445    2.3704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2145    0.0158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7154    1.3161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9521    2.1604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1078    2.3971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6256   -1.9015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2145   -1.3655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8139   -3.3736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6442   -3.8641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2016   -3.0312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    3.6748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    2.8288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0441    2.8378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2678    3.6857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4200    3.9093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2  5  1  0  0  0  0
  2  9  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 35  1  0  0  0  0
  4 17  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  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 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 17  1  1  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  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 18  1  0  0  0  0
 12 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 19  2  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 18 20  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
199478

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
501

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAAwYIAAAAAAAFjB8AAAHgAQAAAADSjBngQ+wPPJkACoAzV3VACCgCAxAiAI2aE4ZJgIIOrA0ZGEIAhgkgDIyAcQgMAOgAAAQAASAAAQAASAACQAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H21N3O/c1-20(2)18(22)12-7-14-13-5-4-6-15-17(13)11(9-19-15)8-16(14)21(3)10-12/h4-7,9,12,16,19H,8,10H2,1-3H3/t12-,16-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
FWHSERNVTGTIJE-MLGOLLRUSA-N

> <PUBCHEM_XLOGP3>
2.2

> <PUBCHEM_EXACT_MASS>
295.168462302

> <PUBCHEM_MOLECULAR_FORMULA>
C18H21N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
295.4

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

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

> <PUBCHEM_CACTVS_TPSA>
39.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
295.168462302

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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  18  8
12  14  8
14  19  8
18  20  8
19  20  8
3  14  8
3  16  8
5  23  5
8  17  5

$$$$