69174164
  -OEChem-05062403562D

 51 54  0     1  0  0  0  0  0999 V2000
    5.4641    1.0987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.4013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.4013    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8301   -2.2673    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3301   -1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8301   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -3.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    1.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    3.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5201   -1.7304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6401   -0.8644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201   -3.6703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301   -1.6473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2101   -2.2673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301   -2.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -0.0913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4501   -2.2673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6401   -3.6703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    0.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.7187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.9087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    3.7533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    1.2658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    2.9316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.4013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.4013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 36  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4 13  2  3  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 30  1  0  0  0  0
  8 11  2  0  0  0  0
  8 31  1  0  0  0  0
  9 12  2  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 22  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 24  2  0  0  0  0
 18 23  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  2  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 26  2  0  0  0  0
 21 27  1  0  0  0  0
 22 25  1  0  0  0  0
 22 42  1  0  0  0  0
 23 25  2  0  0  0  0
 23 43  1  0  0  0  0
 24 28  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 26 29  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  2  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69174164

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
765

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBQAAAHgAYAAAADQyBmAAzwIBiAACqA6RyQACSAAAgAgAciAEgZNgIILKAlZGAIABgmAAIyYcYiICOgAAAAAASAAAAAAAAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[[6-methyl-1-(o-tolylazo)cyclohexa-2,4-dien-1-yl]hydrazono]naphthalen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-[[6-methyl-1-(2-methylphenyl)azo-1-cyclohexa-2,4-dienyl]hydrazinylidene]-2-naphthalenone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[[6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-yl]hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_NAME>
1-[[6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-yl]hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[[6-methyl-1-[(2-methylphenyl)diazenyl]cyclohexa-2,4-dien-1-yl]hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[[6-methyl-1-(o-tolylazo)cyclohexa-2,4-dien-1-yl]hydrazono]naphthalen-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H22N4O/c1-17-9-3-6-13-21(17)25-27-24(16-8-7-10-18(24)2)28-26-23-20-12-5-4-11-19(20)14-15-22(23)29/h3-16,18,28H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
PUCXHQVSFFRZGY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.1

> <PUBCHEM_EXACT_MASS>
382.17936134

> <PUBCHEM_MOLECULAR_FORMULA>
C24H22N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
382.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C=CC=CC1(NN=C2C(=O)C=CC3=CC=CC=C32)N=NC4=CC=CC=C4C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1C=CC=CC1(NN=C2C(=O)C=CC3=CC=CC=C32)N=NC4=CC=CC=C4C

> <PUBCHEM_CACTVS_TPSA>
66.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
382.17936134

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
14  15  8
14  18  8
15  22  8
17  21  8
17  24  8
18  23  8
6  2  3
21  26  8
22  25  8
23  25  8
24  28  8
26  29  8
28  29  8
4  13  1
7  10  3

$$$$