
 CHEMBL293177

 47 50  0  0  0  0  0  0  0  0999 V2000
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    0.7502    2.7221   -0.6619 C   0  0  0  0  0
    1.7786    1.7395   -0.9749 N   0  0  0  0  0
    2.0241    0.6961    0.0212 C   0  0  0  0  0
    1.0786    0.7705    1.2108 C   0  0  0  0  0
   -0.3836    0.9060    0.7695 C   0  0  0  0  0
   -0.9622   -0.4131    0.3778 N   0  0  0  0  0
   -0.8830   -0.8528   -0.9533 C   0  0  0  0  0
   -0.2818   -0.2749   -1.8570 O   0  0  0  0  0
   -1.6835   -2.0854   -1.2815 C   0  0  0  0  0
   -1.3329   -3.1852   -0.3161 C   0  0  0  0  0
   -1.5612   -2.7028    1.0857 C   0  0  0  0  0
   -1.8944   -3.6439    2.0747 C   0  0  0  0  0
   -2.0485   -3.2520    3.3979 C   0  0  0  0  0
   -1.8570   -1.9213    3.7407 C   0  0  0  0  0
   -1.5124   -0.9790    2.7616 C   0  0  0  0  0
   -1.3611   -1.3475    1.4138 C   0  0  0  0  0
    2.3888    1.7873   -2.2297 C   0  0  0  0  0
    2.1991    2.6892   -3.0479 O   0  0  0  0  0
    3.2423    0.6674   -2.6707 C   0  0  0  0  0
    2.7369   -0.1286   -3.7145 C   0  0  0  0  0
    3.4899   -1.1859   -4.2245 C   0  0  0  0  0
    4.7439   -1.4629   -3.6894 C   0  0  0  0  0
    5.2643   -0.6637   -2.6686 C   0  0  0  0  0
    4.5256    0.4239   -2.1773 C   0  0  0  0  0
    5.2969    1.4476   -1.0195 Cl  0  0  0  0  0
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    1.9679   -0.2851   -0.4598 H   0  0  0  0  0
    3.0413    0.8163    0.3954 H   0  0  0  0  0
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    1.3401    1.6498    1.8177 H   0  0  0  0  0
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   -2.0270   -4.6929    1.8127 H   0  0  0  0  0
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   -1.9685   -1.6079    4.7763 H   0  0  0  0  0
   -1.3753    0.0369    3.1096 H   0  0  0  0  0
    1.7573    0.0942   -4.1346 H   0  0  0  0  0
    3.0988   -1.7841   -5.0455 H   0  0  0  0  0
    5.3296   -2.2890   -4.0785 H   0  0  0  0  0
    6.2532   -0.8764   -2.2760 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 17  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
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 10 37  1  0  0  0
 11 12  1  0  0  0
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 11 39  1  0  0  0
 12 13  2  0  0  0
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 13 14  1  0  0  0
 13 40  1  0  0  0
 14 15  2  0  0  0
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 18 20  1  0  0  0
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 25 26  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL293177

>  <PubChem CID>
14969512

>  <Formula>
C21H21ClN2O2

>  <Molecular Weight>
368.861000

>  <IUPAC Name>
1-[1-(2-chlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one

>  <XlogP>
3.600

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC1N2C(=O)CCC3=CC=CC=C32)C(=O)C4=CC=CC=C4Cl

>  <Isomeric SMILES>
C1CN(CCC1N2C(=O)CCC3=CC=CC=C32)C(=O)C4=CC=CC=C4Cl

>  <InChI Std. ID>
InChI=1S/C21H21ClN2O2/c22-18-7-3-2-6-17(18)21(26)23-13-11-16(12-14-23)24-19-8-4-1-5-15(19)9-10-20(24)25/h1-8,16H,9-14H2

>  <InChI Key>
FLZFAAGAFALZLY-UHFFFAOYSA-N

