59975276
  -OEChem-04242423522D

 39 41  0     0  0  0  0  0  0999 V2000
    7.1962   -1.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9446   -1.3019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263    1.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979   -0.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    2.2696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    1.1957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0383    1.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2620    2.0689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142    2.2926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4779   -1.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041   -1.6057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  8  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  2  3  0  0  0
  4 17  1  0  0  0  0
  4 34  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 23  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  2  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 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59975276

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
491

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAYAAAADAyBmAAywIBiAACoA6RyQACSBAAkAgAYiAEgZNgIIDqAlZGAIYBgmAAIyUcYiMCOwAACQAASAACAAASAACQAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
8-amino-3,6-dimethyl-2-(phenylhydrazinylidene)-1-naphthalenone

> <PUBCHEM_IUPAC_NAME_MARKUP>
8-amino-3,6-dimethyl-2-(phenylhydrazinylidene)naphthalen-1-one

> <PUBCHEM_IUPAC_NAME>
8-amino-3,6-dimethyl-2-(phenylhydrazinylidene)naphthalen-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
8-azanyl-3,6-dimethyl-2-(phenylhydrazinylidene)naphthalen-1-one

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H17N3O/c1-11-8-13-10-12(2)17(18(22)16(13)15(19)9-11)21-20-14-6-4-3-5-7-14/h3-10,20H,19H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
CMONIXMNXRPZEK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
291.137162174

> <PUBCHEM_MOLECULAR_FORMULA>
C18H17N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
291.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C(=C1)N)C(=O)C(=NNC3=CC=CC=C3)C(=C2)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C(=C1)N)C(=O)C(=NNC3=CC=CC=C3)C(=C2)C

> <PUBCHEM_CACTVS_TPSA>
67.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
291.137162174

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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  18  8
17  19  8
18  20  8
19  21  8
20  22  8
21  22  8
3  11  1
5  6  8
5  8  8
6  12  8
8  14  8

$$$$