70854200
  -OEChem-05082422042D

 52 55  0     0  0  0  0  0  0999 V2000
    6.3408    1.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0727    1.0224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -2.5568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7931    2.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9213    2.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0611    2.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6532    2.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8046    1.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9098    3.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1894    2.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0380    4.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1778    3.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.0472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.0472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.4396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.1298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.1422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2598    1.7262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659   -0.6893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6132    0.7186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9694    2.0190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1866    2.8685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3371    3.0856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1847    1.0352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8118    0.4225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4246    1.0496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659   -2.3551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4431    3.8484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.8322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6561    2.1961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0308    4.6422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6373    3.8160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.8322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 36  1  0  0  0  0
  3  8  2  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  7  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 34  1  0  0  0  0
 12 21  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
 14 23  2  0  0  0  0
 16 19  2  0  0  0  0
 16 35  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 24  1  0  0  0  0
 20 44  1  0  0  0  0
 21 26  1  0  0  0  0
 21 45  1  0  0  0  0
 22 27  2  0  0  0  0
 22 46  1  0  0  0  0
 23 25  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
 26 28  2  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70854200

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
563

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAA8YIEAAAAAAACB0AAAHgAQAAAADQjBngQ+wJLIEACoAzV3VACCgCA1AiAI2CE4ZNgIIHLAlZGEIQhglADIyYcciMCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-isopropylphenyl)-7-phenyl-5,6-dihydroquinoline-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
7-phenyl-N-(2-propan-2-ylphenyl)-5,6-dihydroquinoline-4-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-phenyl-<I>N</I>-(2-propan-2-ylphenyl)-5,6-dihydroquinoline-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
7-phenyl-N-(2-propan-2-ylphenyl)-5,6-dihydroquinoline-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-phenyl-N-(2-propan-2-ylphenyl)-5,6-dihydroquinoline-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-o-cumenyl-7-phenyl-5,6-dihydroquinoline-4-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H24N2O/c1-17(2)20-10-6-7-11-23(20)27-25(28)22-14-15-26-24-16-19(12-13-21(22)24)18-8-4-3-5-9-18/h3-11,14-17H,12-13H2,1-2H3,(H,27,28)

> <PUBCHEM_IUPAC_INCHIKEY>
CXSGECGJOWSIBP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.1

> <PUBCHEM_EXACT_MASS>
368.188863393

> <PUBCHEM_MOLECULAR_FORMULA>
C25H24N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
368.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C1=CC=CC=C1NC(=O)C2=C3CCC(=CC3=NC=C2)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)C1=CC=CC=C1NC(=O)C2=C3CCC(=CC3=NC=C2)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
42

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
368.188863393

> <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  21  8
12  22  8
13  14  8
13  20  8
14  23  8
16  19  8
20  24  8
21  26  8
22  27  8
23  25  8
24  25  8
26  28  8
27  28  8
3  19  8
3  8  8
6  8  8
6  9  8
9  16  8

$$$$