59974259
  -OEChem-05062404352D

 40 42  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
    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    1.2327    0.0000 C   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
    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
    8.9561    1.7673    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
    6.3301    1.2327    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
   10.7263    1.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263   -0.2915    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
    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
    8.9490    2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490   -0.9220    0.0000 H   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
   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
   10.4142   -0.8272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2620   -0.6035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0383    0.2443    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
    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 12  2  0  0  0  0
  2  3  1  0  0  0  0
  2 13  2  3  0  0  0
  3 17  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  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 15  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  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 36  1  0  0  0  0
 19 21  2  0  0  0  0
 19 37  1  0  0  0  0
 20 22  2  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59974259

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
488

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAYAAAADAyBmAAywIBiAACoA6RyQACSBAAkAgAYiAEgZNgIIDKAlZGAIQBgmAAIyYcYiMCOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,6,7-trimethyl-2-(phenylhydrazono)naphthalen-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
3,6,7-trimethyl-2-(phenylhydrazinylidene)-1-naphthalenone

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,6,7-trimethyl-2-(phenylhydrazinylidene)naphthalen-1-one

> <PUBCHEM_IUPAC_NAME>
3,6,7-trimethyl-2-(phenylhydrazinylidene)naphthalen-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,6,7-trimethyl-2-(phenylhydrazinylidene)naphthalen-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,6,7-trimethyl-2-(phenylhydrazono)naphthalen-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H18N2O/c1-12-9-15-10-14(3)18(19(22)17(15)11-13(12)2)21-20-16-7-5-4-6-8-16/h4-11,20H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
UEJYLQZIPYBLOV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
290.141913202

> <PUBCHEM_MOLECULAR_FORMULA>
C19H18N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
290.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C=C1C)C(=O)C(=NNC3=CC=CC=C3)C(=C2)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C=C1C)C(=O)C(=NNC3=CC=CC=C3)C(=C2)C

> <PUBCHEM_CACTVS_TPSA>
41.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
290.141913202

> <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>
17  18  8
17  19  8
18  20  8
19  21  8
2  13  1
20  22  8
21  22  8
4  5  8
4  8  8
5  9  8
6  7  8
6  8  8
7  9  8

$$$$