59895582
  -OEChem-05102415412D

 49 51  0     0  0  0  0  0  0999 V2000
    2.8660    1.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    3.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -3.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -3.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -3.3043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -2.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.3043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -1.3043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -0.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.2304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.3043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    1.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    4.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    4.2696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    3.1957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    1.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    3.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 41  1  0  0  0  0
  3 15  2  3  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 20  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 23  1  0  0  0  0
 20 42  1  0  0  0  0
 21 24  1  0  0  0  0
 21 43  1  0  0  0  0
 22 25  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  2  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59895582

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
563

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAYAAAADAyBmAAywIBiAACoA6RyQACSBAAgAAAYiAEgRNgIILKAlZGAIABgiAAIyYcYiMCOyAACQAASAACQAASAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-methyl-1-[(2,3,4,5,6-pentamethylphenyl)hydrazono]naphthalen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-methyl-1-[(2,3,4,5,6-pentamethylphenyl)hydrazinylidene]-2-naphthalenone

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-methyl-1-[(2,3,4,5,6-pentamethylphenyl)hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_NAME>
3-methyl-1-[(2,3,4,5,6-pentamethylphenyl)hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-methyl-1-[(2,3,4,5,6-pentamethylphenyl)hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-methyl-1-[(2,3,4,5,6-pentamethylphenyl)hydrazono]naphthalen-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H24N2O/c1-12-11-18-9-7-8-10-19(18)21(22(12)25)24-23-20-16(5)14(3)13(2)15(4)17(20)6/h7-11,23H,1-6H3

> <PUBCHEM_IUPAC_INCHIKEY>
VYWLMBQAKRUFOK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.8

> <PUBCHEM_EXACT_MASS>
332.188863393

> <PUBCHEM_MOLECULAR_FORMULA>
C22H24N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
332.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=CC=CC=C2C(=NNC3=C(C(=C(C(=C3C)C)C)C)C)C1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=CC=CC=C2C(=NNC3=C(C(=C(C(=C3C)C)C)C)C)C1=O

> <PUBCHEM_CACTVS_TPSA>
41.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
332.188863393

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
16  17  8
16  21  8
17  22  8
21  24  8
22  25  8
24  25  8
3  15  1
4  5  8
4  6  8
5  7  8
6  8  8
7  9  8
8  9  8

$$$$