5354447
  -OEChem-05062419282D

 37 39  0     0  0  0  0  0  0999 V2000
    2.8660    1.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    1.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    4.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.3043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    1.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -3.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -3.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    3.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 27  1  0  0  0  0
  3  8  2  3  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6 10  1  0  0  0  0
  6 17  1  0  0  0  0
  7 14  1  0  0  0  0
  7 16  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 19  1  0  0  0  0
 13 25  1  0  0  0  0
 14 18  2  0  0  0  0
 14 26  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 37  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5354447

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
454

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAYAAAADAyBmAAywIBiAACoA6RyQACSBAAgAgAYiAEgZNgIILKAlZGAIABgmAAIyYcYiMCOiAACAAASAAAQAAQAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(2,4-dimethylphenyl)hydrazono]naphthalen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(2,4-dimethylphenyl)hydrazinylidene]-2-naphthalenone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_NAME>
1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[(2,4-dimethylphenyl)hydrazono]naphthalen-2-one

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

> <PUBCHEM_IUPAC_INCHIKEY>
YPXOPAFVVHXQDP-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=C2C(=O)C=CC3=CC=CC=C32)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)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>
11  12  8
13  19  8
16  20  8
19  20  8
3  8  1
4  13  8
4  7  8
5  11  8
5  6  8
6  10  8
7  16  8
9  10  8
9  12  8

$$$$