5355814
  -OEChem-05251303232D

 37 40  0     0  0  0  0  0  0999 V2000
    3.8000    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.7500    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
    3.8000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.7500    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
    2.9061   -1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2920    1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.7500    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
    7.2920    3.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1981    1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1981    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.5954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -3.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    0.5954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    3.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.4171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7338    1.4171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7338    3.0829    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  5  1  0  0  0  0
  2 27  1  0  0  0  0
  3  9  2  3  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  8 18  2  0  0  0  0
  9 17  1  0  0  0  0
 10 20  1  0  0  0  0
 10 24  1  0  0  0  0
 11 16  1  0  0  0  0
 11 25  1  0  0  0  0
 12 16  2  0  0  0  0
 12 26  1  0  0  0  0
 13 21  1  0  0  0  0
 13 28  1  0  0  0  0
 14 22  1  0  0  0  0
 14 29  1  0  0  0  0
 15 19  2  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 18 23  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5355814

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
510

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAADBVAAAHgAYAAAADAyBmAAwwMBiAACoA6RyQACSBAAgAgAYiAEgZNgIILKAlZGAIABgmAAIyYcYiICOgAAAQAASAAAAAACAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(1-naphthylhydrazono)naphthalen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-(1-naphthalenylhydrazinylidene)-2-naphthalenone

> <PUBCHEM_IUPAC_NAME>
1-(naphthalen-1-ylhydrazinylidene)naphthalen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(naphthalen-1-ylhydrazinylidene)naphthalen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(1-naphthylhydrazono)naphthalen-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H14N2O/c23-19-13-12-15-7-2-4-10-17(15)20(19)22-21-18-11-5-8-14-6-1-3-9-16(14)18/h1-13,21H

> <PUBCHEM_IUPAC_INCHIKEY>
DJCJDQSTGATKMZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
298.110613

> <PUBCHEM_MOLECULAR_FORMULA>
C20H14N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
298.33796

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=CC=C2NN=C3C(=O)C=CC4=CC=CC=C43

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=CC=C2NN=C3C(=O)C=CC4=CC=CC=C43

> <PUBCHEM_CACTVS_TPSA>
41.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
298.110613

> <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>
4

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  20  8
11  16  8
12  16  8
13  21  8
14  22  8
18  23  8
20  21  8
22  23  8
3  9  1
4  10  8
4  5  8
4  6  8
5  11  8
6  12  8
6  13  8
7  14  8
7  8  8
8  18  8

$$$$