
 CHEMBL118595

 47 50  0  0  0  0  0  0  0  0999 V2000
   -0.6939   -2.5957    2.7345 C   0  0  0  0  0
    0.6630   -1.9669    2.5262 C   0  0  0  0  0
    0.5202   -0.7890    1.6030 C   0  0  0  0  0
    1.4278    0.2758    1.7705 C   0  0  0  0  0
    1.3525    1.4044    0.9667 C   0  0  0  0  0
    0.3778    1.4705   -0.0159 C   0  0  0  0  0
   -0.5137    0.4047   -0.2028 C   0  0  0  0  0
   -0.4662   -0.7555    0.5868 C   0  0  0  0  0
   -1.3802   -1.8750    0.4108 N   0  0  0  0  0
   -1.2597   -2.9782    1.3825 C   0  0  0  0  0
   -2.2903   -1.9531   -0.6775 C   0  0  0  0  0
   -2.4834   -1.0858   -1.5306 O   0  0  0  0  0
   -3.1704   -3.1519   -0.8536 C   0  0  0  0  0
   -2.6906   -4.4620   -0.7679 C   0  0  0  0  0
   -3.5658   -5.5478   -0.8305 C   0  0  0  0  0
   -4.9050   -5.3246   -1.1644 C   0  0  0  0  0
   -5.3775   -4.0245   -1.3513 C   0  0  0  0  0
   -4.5186   -2.9408   -1.1750 C   0  0  0  0  0
   -3.1750   -6.8697   -0.5279 N   0  0  0  0  0
   -2.0005   -7.2482    0.1068 C   0  0  0  0  0
   -1.0650   -6.5201    0.4175 O   0  0  0  0  0
   -1.9019   -8.6956    0.4465 C   0  0  0  0  0
   -3.0119   -9.4355    0.8764 C   0  0  0  0  0
   -2.8645  -10.7857    1.2006 C   0  0  0  0  0
   -1.6113  -11.3944    1.1059 C   0  0  0  0  0
   -0.5005  -10.6550    0.7022 C   0  0  0  0  0
   -0.6433   -9.3059    0.3787 C   0  0  0  0  0
   -0.6012   -3.4867    3.3674 H   0  0  0  0  0
   -1.3707   -1.8986    3.2446 H   0  0  0  0  0
    1.3678   -2.6834    2.0874 H   0  0  0  0  0
    1.0634   -1.6557    3.4972 H   0  0  0  0  0
    2.1927    0.2274    2.5424 H   0  0  0  0  0
    2.0461    2.2286    1.1087 H   0  0  0  0  0
    0.2987    2.3508   -0.6491 H   0  0  0  0  0
   -1.2487    0.5433   -0.9857 H   0  0  0  0  0
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   -0.6043   -3.7311    0.9323 H   0  0  0  0  0
   -1.6270   -4.6242   -0.6538 H   0  0  0  0  0
   -5.6036   -6.1513   -1.2582 H   0  0  0  0  0
   -6.4196   -3.8529   -1.6127 H   0  0  0  0  0
   -4.8953   -1.9263   -1.3003 H   0  0  0  0  0
   -3.8626   -7.5874   -0.7083 H   0  0  0  0  0
   -3.9862   -8.9716    1.0006 H   0  0  0  0  0
   -3.7207  -11.3628    1.5385 H   0  0  0  0  0
   -1.4975  -12.4457    1.3627 H   0  0  0  0  0
    0.4773  -11.1252    0.6449 H   0  0  0  0  0
    0.2280   -8.7277    0.0752 H   0  0  0  0  0
  1 10  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 17 18  2  0  0  0
 17 40  1  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
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 24 25  2  0  0  0
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 26 46  1  0  0  0
 27 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL118595

>  <PubChem CID>
1307424

>  <Formula>
C23H20N2O2

>  <Molecular Weight>
356.425000

>  <IUPAC Name>
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC2=CC=CC=C2N(C1)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CC2=CC=CC=C2N(C1)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C23H20N2O2/c26-22(18-9-2-1-3-10-18)24-20-13-6-11-19(16-20)23(27)25-15-7-12-17-8-4-5-14-21(17)25/h1-6,8-11,13-14,16H,7,12,15H2,(H,24,26)

>  <InChI Key>
FMHUWDDFCIGSCN-UHFFFAOYSA-N

