44202091
  -OEChem-05112415512D

 43 46  0     1  0  0  0  0  0999 V2000
    4.5981    2.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2673    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2327    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
    5.4641    0.2327    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
    6.3301    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.2327    0.0000 C   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
    2.8660   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.7535    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
    3.1215    0.3403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.8153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.8499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.1597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.6127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    3.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    0.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    1.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979    3.0656    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
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  8  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 31  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  2  0  0  0  0
 13 15  2  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 34  1  0  0  0  0
 16 20  1  0  0  0  0
 16 35  1  0  0  0  0
 17 21  2  0  0  0  0
 17 36  1  0  0  0  0
 18 22  1  0  0  0  0
 18 37  1  0  0  0  0
 19 23  1  0  0  0  0
 19 38  1  0  0  0  0
 20 24  2  0  0  0  0
 20 39  1  0  0  0  0
 21 24  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  2  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44202091

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
476

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAADBVAAAHgAAAAAADATBmAQwAMMAAACIAqBWQACCAAAgAAAIiAEIBMgIIDqAlRGEIAhggACIiMcYiMCOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-benzyl-5-(2-naphthyl)-2,3-dihydropyridin-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-(2-naphthalenyl)-1-(phenylmethyl)-2,3-dihydropyridin-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-benzyl-5-naphthalen-2-yl-2,3-dihydropyridin-4-one

> <PUBCHEM_IUPAC_NAME>
1-benzyl-5-naphthalen-2-yl-2,3-dihydropyridin-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-naphthalen-2-yl-1-(phenylmethyl)-2,3-dihydropyridin-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-benzyl-5-(2-naphthyl)-2,3-dihydropyridin-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H19NO/c24-22-12-13-23(15-17-6-2-1-3-7-17)16-21(22)20-11-10-18-8-4-5-9-19(18)14-20/h1-11,14,16H,12-13,15H2

> <PUBCHEM_IUPAC_INCHIKEY>
YTQAGAXCJZMROT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
313.146664230

> <PUBCHEM_MOLECULAR_FORMULA>
C22H19NO

> <PUBCHEM_MOLECULAR_WEIGHT>
313.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(C=C(C1=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(C=C(C1=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
20.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
313.146664230

> <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>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  16  8
10  17  8
11  12  8
12  14  8
12  18  8
13  15  8
14  15  8
14  19  8
16  20  8
17  21  8
18  22  8
19  23  8
20  24  8
21  24  8
22  23  8
9  11  8
9  13  8

$$$$