11957707
  -OEChem-04242411232D

 40 42  0     0  0  0  0  0  0999 V2000
    3.6619    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4709    7.3394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8281    5.6446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036    4.0351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1173    6.8013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0708    9.4466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8819    4.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8281    4.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8819    5.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4117    4.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1498    4.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0158    3.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1498    5.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0158    5.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036    5.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1388    6.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    4.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8929    3.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4279    7.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4064    7.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7601    8.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7171    8.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0492    9.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5771    3.4682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3655    3.7259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8726    4.4251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8726    5.2546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0158    3.2198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0158    6.4598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0110    6.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3036    3.2772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7003    2.4953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4823    2.8920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5313    6.3398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8205    7.4966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1534    8.3683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3238    9.0364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2419   10.2422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6619    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 40  1  0  0  0  0
  2 16  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 16  1  0  0  0  0
  4 11  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 16  1  0  0  0  0
  5 19  1  0  0  0  0
  5 35  1  0  0  0  0
  6 21  1  0  0  0  0
  6 23  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 14  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11957707

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
429

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAEAAAAAAAAAAAAAAAAAWLAAAA8QAAAAAAAAFgB/AAAHgAQAAAADAjBHgQ/wPPMEACoAzRnVACCgCAxEiAI2CA4dJiIYOLAkZGUIAholgLIyCcQgMAOQACAQAACAACAAQCAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-methyl-N-(3-pyridyl)-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
1-methyl-N-(3-pyridinyl)-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-methyl-<I>N</I>-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide;hydrochloride

> <PUBCHEM_IUPAC_NAME>
1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-methyl-N-(3-pyridyl)-6,7-dihydropyrrol[2,3-f]indole-5-carboxamide;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H16N4O.ClH/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14;/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22);1H

> <PUBCHEM_IUPAC_INCHIKEY>
VGEMBOFBPSNOIO-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
328.1090889

> <PUBCHEM_MOLECULAR_FORMULA>
C17H17ClN4O

> <PUBCHEM_MOLECULAR_WEIGHT>
328.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C=CC2=CC3=C(CCN3C(=O)NC4=CN=CC=C4)C=C21.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C=CC2=CC3=C(CCN3C(=O)NC4=CN=CC=C4)C=C21.Cl

> <PUBCHEM_CACTVS_TPSA>
50.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
328.1090889

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
11  13  8
13  14  8
13  15  8
15  17  8
19  20  8
19  21  8
20  22  8
22  23  8
4  11  8
4  17  8
6  21  8
6  23  8
7  12  8
7  9  8
9  14  8

$$$$