128919
  -OEChem-05092423222D

 50 53  0     1  0  0  0  0  0999 V2000
    3.3660    0.3487    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0173    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.3834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.4827    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2862    0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2862    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1923    0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1923    2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    1.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    1.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    1.0653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    0.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    1.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    1.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742   -1.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728   -0.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    0.0077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    0.0077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233    2.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2791   -0.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2791    3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7281    0.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7281    2.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 26  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  9  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 10  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 11  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 40  1  0  0  0  0
 15 20  1  0  0  0  0
 15 41  1  0  0  0  0
 16 21  2  0  0  0  0
 16 42  1  0  0  0  0
 17 22  2  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 18 24  2  0  0  0  0
 19 21  1  0  0  0  0
 19 25  2  0  0  0  0
 20 23  2  0  0  0  0
 20 26  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 27  1  0  0  0  0
 24 47  1  0  0  0  0
 25 28  1  0  0  0  0
 25 48  1  0  0  0  0
 27 28  2  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
128919

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
541

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6AYAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAADBVAAAHQAAAAAADADBGBQwAMMAAACAAiBCAACCAAAgAAAIiAAIAIgIICKAkRGEIAAggACIiAcQgMAOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[2-(2-naphthyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine

> <PUBCHEM_IUPAC_CAS_NAME>
1-[2-(2-naphthalenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(2-naphthalen-2-ylethyl)-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2<I>H</I>-pyridine

> <PUBCHEM_IUPAC_NAME>
1-(2-naphthalen-2-ylethyl)-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(2-naphthalen-2-ylethyl)-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[2-(2-naphthyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H22F3N/c25-24(26,27)23-7-3-6-22(17-23)20-11-14-28(15-12-20)13-10-18-8-9-19-4-1-2-5-21(19)16-18/h1-9,11,16-17H,10,12-15H2

> <PUBCHEM_IUPAC_INCHIKEY>
WJJYZXPHLSLMGE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.2

> <PUBCHEM_EXACT_MASS>
381.17043419

> <PUBCHEM_MOLECULAR_FORMULA>
C24H22F3N

> <PUBCHEM_MOLECULAR_WEIGHT>
381.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC3=CC4=CC=CC=C4C=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC3=CC4=CC=CC=C4C=C3

> <PUBCHEM_CACTVS_TPSA>
3.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
381.17043419

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
12  15  8
12  17  8
13  14  8
13  16  8
14  18  8
15  20  8
16  21  8
17  22  8
18  19  8
18  24  8
19  21  8
19  25  8
20  23  8
22  23  8
24  27  8
25  28  8
27  28  8

$$$$