56603523
  -OEChem-04262400482D

 35 36  0     0  0  0  0  0  0999 V2000
    7.2827    4.5187    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.2690    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0812    2.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0812    1.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6648    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0135    8.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6150    9.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    7.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    4.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    5.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    9.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    8.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2848    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 18  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 26  1  0  0  0  0
  4  9  1  0  0  0  0
  4 27  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  2  0  0  0  0
  6 12  2  0  0  0  0
  6 21  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  2  0  0  0  0
  8 17  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 11 20  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 13 24  1  0  0  0  0
 14 16  2  0  0  0  0
 14 25  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  CHG  1   1  -1
M  END
> <PUBCHEM_COMPOUND_CID>
56603523

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
522

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzoAAEAAAAAAAAAAAAAAAAAQAAAAAwQAAAAAAAAEABAAAAHgAYAAAADAyBmAQzwIJiAACoA6RzZACCBAEgAgIYqAEgZNgIICqAkZGAIABgkAAIyYcQgIAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-[2-(4-ethylphenyl)hydrazino]benzimidazol-4-one;chloride

> <PUBCHEM_IUPAC_CAS_NAME>
7-[(4-ethylphenyl)hydrazo]-4-benzimidazolone;chloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-[2-(4-ethylphenyl)hydrazinyl]benzimidazol-4-one;chloride

> <PUBCHEM_IUPAC_NAME>
7-[2-(4-ethylphenyl)hydrazinyl]benzimidazol-4-one;chloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-[2-(4-ethylphenyl)hydrazinyl]benzimidazol-4-one;chloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-[N'-(4-ethylphenyl)hydrazino]benzimidazol-4-one;chloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H14N4O.ClH/c1-2-10-3-5-11(6-4-10)18-19-12-7-8-13(20)15-14(12)16-9-17-15;/h3-9,18-19H,2H2,1H3;1H/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
WJKDSQSJYUIBLM-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
301.0856138

> <PUBCHEM_MOLECULAR_FORMULA>
C15H14ClN4O-

> <PUBCHEM_MOLECULAR_WEIGHT>
301.75

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=CC=C(C=C1)NNC2=C3C(=NC=N3)C(=O)C=C2.[Cl-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=CC=C(C=C1)NNC2=C3C(=NC=N3)C(=O)C=C2.[Cl-]

> <PUBCHEM_CACTVS_TPSA>
65.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
301.0856138

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  15  8
14  16  8
7  13  8
7  14  8
9  15  8
9  16  8

$$$$