5876571
  -OEChem-05072408352D

 49 52  0     0  0  0  0  0  0999 V2000
    3.7320    3.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    3.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    5.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    5.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    2.8280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    6.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    6.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    5.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    3.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    1.5196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    0.4457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    5.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -5.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.9804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 35  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 15  1  0  0  0  0
 10 22  1  0  0  0  0
 11 20  1  0  0  0  0
 11 30  1  0  0  0  0
 12 17  2  0  0  0  0
 12 31  1  0  0  0  0
 13 17  1  0  0  0  0
 14 21  1  0  0  0  0
 14 32  1  0  0  0  0
 15 18  2  0  0  0  0
 15 33  1  0  0  0  0
 16 19  2  0  0  0  0
 16 34  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 42  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 27  1  0  0  0  0
 24 26  2  0  0  0  0
 25 28  1  0  0  0  0
 25 43  1  0  0  0  0
 26 29  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 29  2  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5876571

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
670

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAACBUAAAHgAYAAAADAyBmAAywIBiAACqA6RyQACSBAAgAgAYiAEgZNgIILKAlZGAIABgmAAIyYcYiICOgACAQAASAAAAAQCAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1Z)-1-[[2-methyl-4-(o-tolylazo)phenyl]hydrazono]naphthalen-2-one

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>Z</I>)-1-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]hydrazinylidene]naphthalen-2-one

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1Z)-1-[[2-methyl-4-(o-tolylazo)phenyl]hydrazono]naphthalen-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H20N4O/c1-16-7-3-6-10-21(16)26-25-19-12-13-22(17(2)15-19)27-28-24-20-9-5-4-8-18(20)11-14-23(24)29/h3-15,27H,1-2H3/b26-25?,28-24-

> <PUBCHEM_IUPAC_INCHIKEY>
KMDLOETUWUPGMB-BXCCFQQFSA-N

> <PUBCHEM_XLOGP3_AA>
6.1

> <PUBCHEM_EXACT_MASS>
380.16371127

> <PUBCHEM_MOLECULAR_FORMULA>
C24H20N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
380.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=CC=C1N=NC2=CC(=C(C=C2)NN=C3C(=O)C=CC4=CC=CC=C43)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N/N=C/3\C(=O)C=CC4=CC=CC=C43)C

> <PUBCHEM_CACTVS_TPSA>
66.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
380.16371127

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
11  20  8
14  21  8
15  18  8
16  19  8
18  19  8
20  21  8
23  24  8
23  25  8
24  26  8
25  28  8
26  29  8
28  29  8
6  11  8
6  7  8
7  14  8
9  10  8
9  16  8

$$$$