101704
  -OEChem-04252416492D

 43 46  0     1  0  0  0  0  0999 V2000
    2.0116    0.8703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5437    0.8700    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.5317   -3.3202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    2.3736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5277   -0.1715    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6616   -0.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3937   -0.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6457    1.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7436    0.8769    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3937   -1.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6616   -1.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5277   -2.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7516   -0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5437   -3.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4155    1.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0116   -2.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7516   -2.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8757    1.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6457   -3.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7436   -3.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    2.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0670    0.1344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0043   -0.7792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6057   -0.0889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0466    1.8706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2484    1.8737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7424    1.4969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2183   -0.4808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7192    0.8195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9560    1.6637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1117    1.9004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6294   -2.3981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2183   -1.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8177   -3.8702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6481   -4.3608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2055   -3.5279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4075    2.6857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3929    2.9756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7940    2.2868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    3.8726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9976    4.4902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    3.8679    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 35  1  0  0  0  0
  4 18  1  0  0  0  0
  4 21  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  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 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 13  1  0  0  0  0
  9 18  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 17  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
 17 20  2  0  0  0  0
 17 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 22  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>
101704

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
489

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAAwYIAAAAAAAFjB8AAAHgAQAAAADSjBngQ+wPPJkACoAzV3VACCgCAxAiAI2aE4ZJgIIOrA0ZGEIAhglgDIyAcQgMAOgAAAQAASAAAQAASAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-ethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-ethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

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

> <PUBCHEM_IUPAC_NAME>
N-ethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-ethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-ethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

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

> <PUBCHEM_IUPAC_INCHIKEY>
VEBWTGYUIBTVNR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.4

> <PUBCHEM_EXACT_MASS>
295.168462302

> <PUBCHEM_MOLECULAR_FORMULA>
C18H21N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
295.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCNC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCNC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C

> <PUBCHEM_CACTVS_TPSA>
48.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
295.168462302

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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  7  3
9  18  3

$$$$