59885758
  -OEChem-05062412372D

 44 47  0     0  0  0  0  0  0999 V2000
    8.9962   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.2500    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
    2.0000   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.7847    0.0000 C   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   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    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
    5.5321   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.2500    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
    8.9962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7561   -0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7561    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6622    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6622    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7909    0.3545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891   -0.3353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891   -1.1647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7909   -1.8545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107    0.7544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5124    0.7637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5124   -2.2637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107   -2.2544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.8700    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
    6.0690   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7490   -0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7490    2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5741    2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7272    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541    1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1979   -0.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1979    1.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  2 36  1  0  0  0  0
  3 14  2  3  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  8  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 33  1  0  0  0  0
 11 13  2  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  2  0  0  0  0
 17 19  1  0  0  0  0
 17 21  2  0  0  0  0
 19 37  1  0  0  0  0
 20 23  1  0  0  0  0
 20 38  1  0  0  0  0
 21 24  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  2  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59885758

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
550

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAADBQAAAHgAYAAAADAyBmAAywIBiAACoA6RyQACSBAAkAgAYiAEgZNgIIDKAlZGAIQBgmAAIyYcYiMCOiAAAQAAQAAAQAACAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-methyl-2-(tetralin-6-ylhydrazono)naphthalen-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylhydrazinylidene)-1-naphthalenone

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylhydrazinylidene)naphthalen-1-one

> <PUBCHEM_IUPAC_NAME>
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylhydrazinylidene)naphthalen-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylhydrazinylidene)naphthalen-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-methyl-2-(tetralin-6-ylhydrazono)naphthalen-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H20N2O/c1-14-12-17-8-4-5-9-19(17)21(24)20(14)23-22-18-11-10-15-6-2-3-7-16(15)13-18/h4-5,8-13,22H,2-3,6-7H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
URPFOGFQCPBOQB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.4

> <PUBCHEM_EXACT_MASS>
316.157563266

> <PUBCHEM_MOLECULAR_FORMULA>
C21H20N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
316.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=CC=CC=C2C(=O)C1=NNC3=CC4=C(CCCC4)C=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=CC=CC=C2C(=O)C1=NNC3=CC4=C(CCCC4)C=C3

> <PUBCHEM_CACTVS_TPSA>
41.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
316.157563266

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  12  8
11  13  8
12  13  8
16  17  8
16  20  8
17  21  8
20  23  8
21  24  8
23  24  8
3  14  1
8  10  8
8  9  8
9  11  8

$$$$