59883502
  -OEChem-05102418292D

 39 41  0     0  0  0  0  0  0999 V2000
    2.8660    1.8877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    3.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465    0.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    4.5423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.5077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    2.0548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    3.7206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7265    0.8602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3393    0.2331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9664    0.8459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.6977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.8023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.6977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.4223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.9223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.1493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.9223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.9223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  3  1  0  0  0  0
  2  8  2  3  0  0  0
  3 16  1  0  0  0  0
  3 32  1  0  0  0  0
  4 19  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 23  1  0  0  0  0
 10 15  2  0  0  0  0
 10 24  1  0  0  0  0
 11 13  2  0  0  0  0
 11 25  1  0  0  0  0
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 15 30  1  0  0  0  0
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 17 18  1  0  0  0  0
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 17 22  1  0  0  0  0
 18 31  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59883502

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
485

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAYAAAADAyBmAAywIBiAACoA6RyQACSBAAgAgAYiAEgZNgIIDKAlZGAIABgmAAIyYcYiMCOgACCQAASAAAAAQSAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(4-amino-3-methyl-phenyl)hydrazono]-8-methyl-naphthalen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(4-amino-3-methylphenyl)hydrazinylidene]-8-methyl-2-naphthalenone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[(4-amino-3-methylphenyl)hydrazinylidene]-8-methylnaphthalen-2-one

> <PUBCHEM_IUPAC_NAME>
1-[(4-amino-3-methylphenyl)hydrazinylidene]-8-methylnaphthalen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[(4-azanyl-3-methyl-phenyl)hydrazinylidene]-8-methyl-naphthalen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[(4-amino-3-methyl-phenyl)hydrazono]-8-methyl-naphthalen-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H17N3O/c1-11-4-3-5-13-6-9-16(22)18(17(11)13)21-20-14-7-8-15(19)12(2)10-14/h3-10,20H,19H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
HGBYEIJNVKVQOC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
291.137162174

> <PUBCHEM_MOLECULAR_FORMULA>
C18H17N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
291.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C2C(=CC=C1)C=CC(=O)C2=NNC3=CC(=C(C=C3)N)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C2C(=CC=C1)C=CC(=O)C2=NNC3=CC(=C(C=C3)N)C

> <PUBCHEM_CACTVS_TPSA>
67.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
291.137162174

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  13  8
16  18  8
16  20  8
17  18  8
17  19  8
19  21  8
2  8  1
20  21  8
5  6  8
5  7  8
6  9  8
7  11  8
9  13  8

$$$$