59895581
  -OEChem-05082407012D

 37 39  0     0  0  0  0  0  0999 V2000
    2.0000    1.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    1.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    4.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.2696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.1957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    1.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    3.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -3.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -3.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  3  0  0  0
  3 15  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 22  1  0  0  0  0
 10 13  1  0  0  0  0
 10 23  1  0  0  0  0
 11 14  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  2  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59895581

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
458

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAYAAAADAyBmAAywIBiAACoA6RyQACSBAAgAgAYiAEgZNgIILKAlZGAIABgmAAIyYcYiMCOiAAAAAAQAAAQAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-methyl-1-(p-tolylhydrazono)naphthalen-2-one

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-methyl-1-[(4-methylphenyl)hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_NAME>
3-methyl-1-[(4-methylphenyl)hydrazinylidene]naphthalen-2-one

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-methyl-1-(p-tolylhydrazono)naphthalen-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H16N2O/c1-12-7-9-15(10-8-12)19-20-17-16-6-4-3-5-14(16)11-13(2)18(17)21/h3-11,19H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
OLTNEJLIZZUOMA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
276.126263138

> <PUBCHEM_MOLECULAR_FORMULA>
C18H16N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
276.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)NN=C2C3=CC=CC=C3C=C(C2=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)NN=C2C3=CC=CC=C3C=C(C2=O)C

> <PUBCHEM_CACTVS_TPSA>
41.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
276.126263138

> <PUBCHEM_TOTAL_CHARGE>
0

> <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>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  14  8
13  14  8
15  17  8
15  18  8
16  19  8
16  20  8
17  19  8
18  20  8
2  6  1
4  10  8
4  5  8
5  11  8

$$$$