59976630
  -OEChem-04252406512D

 42 44  0     0  0  0  0  0  0999 V2000
    8.0622   -1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8106   -1.3019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923    1.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2673    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
    3.7320    0.2327    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
    2.8660   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8150    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639   -0.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    2.2696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    1.1957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9044    1.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1280    2.0689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2802    2.2926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3439   -1.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2701   -1.6057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.3043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  4  1  0  0  0  0
  2 11  2  3  0  0  0
  3  8  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4 17  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 14  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 19 36  1  0  0  0  0
 20 22  2  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59976630

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
517

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAYAAAADAyBmAAywIBiAACoA6RyQACSBAAkAgAYiAEgZNgIIDqAlZGAIYBgmAAIyUcYiMCOyAACQAASAACQAASAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
8-amino-3,6-dimethyl-2-(p-tolylhydrazono)naphthalen-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
8-amino-3,6-dimethyl-2-[(4-methylphenyl)hydrazinylidene]-1-naphthalenone

> <PUBCHEM_IUPAC_NAME_MARKUP>
8-amino-3,6-dimethyl-2-[(4-methylphenyl)hydrazinylidene]naphthalen-1-one

> <PUBCHEM_IUPAC_NAME>
8-amino-3,6-dimethyl-2-[(4-methylphenyl)hydrazinylidene]naphthalen-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
8-azanyl-3,6-dimethyl-2-[(4-methylphenyl)hydrazinylidene]naphthalen-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
8-amino-3,6-dimethyl-2-(p-tolylhydrazono)naphthalen-1-one

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

> <PUBCHEM_IUPAC_INCHIKEY>
LVMVSOJBYAAZEQ-UHFFFAOYSA-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=CC=C(C=C1)NN=C2C(=CC3=C(C2=O)C(=CC(=C3)C)N)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)NN=C2C(=CC3=C(C2=O)C(=CC(=C3)C)N)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>
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>
12  13  8
13  14  8
17  19  8
17  20  8
18  21  8
18  22  8
19  21  8
2  11  1
20  22  8
5  6  8
5  8  8
6  12  8
8  14  8

$$$$