5841742
  -OEChem-04242419292D

 55 58  0     0  0  0  0  0  0999 V2000
    2.8660    3.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    3.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    5.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    5.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.5196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.4457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.4804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.5543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    2.8280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    6.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    6.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    5.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -2.9804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -4.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    3.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    5.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -4.9804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -5.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -6.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 40  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 20  2  0  0  0  0
 11 12  2  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 21  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  2  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 27  1  0  0  0  0
 18 25  1  0  0  0  0
 18 31  1  0  0  0  0
 19 26  2  0  0  0  0
 20 28  1  0  0  0  0
 20 41  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  2  0  0  0  0
 22 42  1  0  0  0  0
 23 29  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 30  2  0  0  0  0
 25 45  1  0  0  0  0
 26 30  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
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
 31 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5841742

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
729

> <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-[[4-(2,3-dimethylphenyl)azo-2,3-dimethyl-phenyl]hydrazono]naphthalen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
(1Z)-1-[[4-(2,3-dimethylphenyl)azo-2,3-dimethylphenyl]hydrazinylidene]-2-naphthalenone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>Z</I>)-1-[[4-[(2,3-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_NAME>
(1Z)-1-[[4-[(2,3-dimethylphenyl)diazenyl]-2,3-dimethylphenyl]hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1Z)-1-[[4-[(2,3-dimethylphenyl)diazenyl]-2,3-dimethyl-phenyl]hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1Z)-1-[[4-(2,3-dimethylphenyl)azo-2,3-dimethyl-phenyl]hydrazono]naphthalen-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H24N4O/c1-16-8-7-11-22(17(16)2)27-28-23-13-14-24(19(4)18(23)3)29-30-26-21-10-6-5-9-20(21)12-15-25(26)31/h5-15,29H,1-4H3/b28-27?,30-26-

> <PUBCHEM_IUPAC_INCHIKEY>
BKJHNBPQQXRTGO-LTFAAIOASA-N

> <PUBCHEM_XLOGP3_AA>
6.9

> <PUBCHEM_EXACT_MASS>
408.19501140

> <PUBCHEM_MOLECULAR_FORMULA>
C26H24N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
408.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(=CC=C1)N=NC2=C(C(=C(C=C2)NN=C3C(=O)C=CC4=CC=CC=C43)C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(=CC=C1)N=NC2=C(C(=C(C=C2)N/N=C/3\C(=O)C=CC4=CC=CC=C43)C)C)C

> <PUBCHEM_CACTVS_TPSA>
66.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
408.19501140

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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
10  20  8
11  12  8
15  23  8
17  18  8
17  19  8
18  25  8
19  26  8
20  28  8
23  29  8
25  30  8
26  30  8
28  29  8
6  7  8
6  8  8
7  9  8
8  11  8
9  12  8

$$$$