59990157
  -OEChem-05102418272D

 49 52  0     0  0  0  0  0  0999 V2000
    8.9962   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7561    2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6622    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7561    0.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176   -2.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6622    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5263    2.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7490    2.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.5828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7490   -0.4047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2977   -2.2918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9248   -2.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5376   -2.2775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1979    0.4171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5741    2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7272    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541    1.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8384    1.7384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0620    2.5862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2142    2.8098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 37  1  0  0  0  0
  3 12  2  3  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  2  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7 14  1  0  0  0  0
  8 19  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
  9 20  1  0  0  0  0
 10 17  1  0  0  0  0
 10 23  1  0  0  0  0
 11 14  2  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 16  2  0  0  0  0
 13 26  1  0  0  0  0
 14 29  1  0  0  0  0
 15 21  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 21  2  0  0  0  0
 19 35  1  0  0  0  0
 20 22  2  0  0  0  0
 20 36  1  0  0  0  0
 21 38  1  0  0  0  0
 22 25  1  0  0  0  0
 22 27  1  0  0  0  0
 23 25  2  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  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
M  END
> <PUBCHEM_COMPOUND_CID>
59990157

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
636

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAADBVAAAHgAYAAAADAyBmAAywMBiAACoA6RyQACSBAAkAgAYiAEgZNgIIDKAlZGAIQBgmAAIyYcYiMCOyAACQAASAACQAASAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(1,5-dimethyl-2-naphthyl)hydrazono]-3,6-dimethyl-naphthalen-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(1,5-dimethyl-2-naphthalenyl)hydrazinylidene]-3,6-dimethyl-1-naphthalenone

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[(1,5-dimethylnaphthalen-2-yl)hydrazinylidene]-3,6-dimethylnaphthalen-1-one

> <PUBCHEM_IUPAC_NAME>
2-[(1,5-dimethylnaphthalen-2-yl)hydrazinylidene]-3,6-dimethylnaphthalen-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(1,5-dimethylnaphthalen-2-yl)hydrazinylidene]-3,6-dimethyl-naphthalen-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(1,5-dimethyl-2-naphthyl)hydrazono]-3,6-dimethyl-naphthalen-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H22N2O/c1-14-8-9-21-18(12-14)13-16(3)23(24(21)27)26-25-22-11-10-19-15(2)6-5-7-20(19)17(22)4/h5-13,25H,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
KUWKWBQZJIDQOF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.4

> <PUBCHEM_EXACT_MASS>
354.173213330

> <PUBCHEM_MOLECULAR_FORMULA>
C24H22N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
354.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C=C1)C(=O)C(=NNC3=C(C4=CC=CC(=C4C=C3)C)C)C(=C2)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C=C1)C(=O)C(=NNC3=C(C4=CC=CC(=C4C=C3)C)C)C(=C2)C

> <PUBCHEM_CACTVS_TPSA>
41.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
354.173213330

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
10  23  8
11  14  8
15  21  8
19  21  8
20  22  8
22  25  8
23  25  8
3  12  1
4  15  8
4  5  8
4  6  8
5  11  8
5  8  8
6  7  8
7  14  8
8  19  8
9  10  8
9  20  8

$$$$