59963631
  -OEChem-04262405072D

 42 44  0     0  0  0  0  0  0999 V2000
    7.1962   -0.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9446   -0.5519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0173    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
    2.8660   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.0035    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
    4.5981   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    0.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    3.0196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    1.9457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    2.3156    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
    5.1350   -2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.9804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4779   -0.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041   -0.8557    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  8  2  0  0  0  0
  3 14  1  0  0  0  0
  3 32  1  0  0  0  0
  4 11  1  0  0  0  0
  4 41  1  0  0  0  0
  4 42  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
 10 24  1  0  0  0  0
 11 16  2  0  0  0  0
 12 18  2  0  0  0  0
 12 25  1  0  0  0  0
 13 15  2  0  0  0  0
 13 19  1  0  0  0  0
 13 22  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 23  1  0  0  0  0
 16 18  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 31  1  0  0  0  0
 19 30  1  0  0  0  0
 20 21  2  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59963631

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
525

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAYAAAADAyBmAAywIBiAACoA6RyQACSBAAkAgAYiAEgZNgIIDqAlZGAIYBgmAAIyUcYiMCOiAAAQAASAAAQAACAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2Z)-8-amino-2-[(3,4-dimethylphenyl)hydrazono]-3-methyl-naphthalen-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
(2Z)-8-amino-2-[(3,4-dimethylphenyl)hydrazinylidene]-3-methyl-1-naphthalenone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>Z</I>)-8-amino-2-[(3,4-dimethylphenyl)hydrazinylidene]-3-methylnaphthalen-1-one

> <PUBCHEM_IUPAC_NAME>
(2Z)-8-amino-2-[(3,4-dimethylphenyl)hydrazinylidene]-3-methylnaphthalen-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2Z)-8-azanyl-2-[(3,4-dimethylphenyl)hydrazinylidene]-3-methyl-naphthalen-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2Z)-8-amino-2-[(3,4-dimethylphenyl)hydrazono]-3-methyl-naphthalen-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H19N3O/c1-11-7-8-15(10-12(11)2)21-22-18-13(3)9-14-5-4-6-16(20)17(14)19(18)23/h4-10,21H,20H2,1-3H3/b22-18-

> <PUBCHEM_IUPAC_INCHIKEY>
KAZXWMRIDANMPE-PYCFMQQDSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
305.152812238

> <PUBCHEM_MOLECULAR_FORMULA>
C19H19N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
305.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=C(C=C1)NN=C2C(=CC3=C(C2=O)C(=CC=C3)N)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=C(C=C1)N/N=C\2/C(=CC3=C(C2=O)C(=CC=C3)N)C)C

> <PUBCHEM_CACTVS_TPSA>
67.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
305.152812238

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
11  16  8
12  18  8
13  15  8
13  19  8
14  19  8
14  20  8
15  21  8
16  18  8
20  21  8
5  11  8
5  6  8
6  12  8

$$$$