
 CHEMBL59397

 51 54  0  0  0  0  0  0  0  0999 V2000
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   -0.3453   -0.8584    2.2849 C   0  0  0  0  0
   -0.8357   -1.6386    1.4771 O   0  0  0  0  0
   -0.9572   -0.7532    3.6498 C   0  0  0  0  0
    0.1210   -0.9367    4.6813 C   0  0  0  0  0
    1.1887    0.0930    4.4493 C   0  0  0  0  0
    1.9407    0.5371    5.5479 C   0  0  0  0  0
    2.9497    1.4746    5.3758 C   0  0  0  0  0
    3.2053    1.9774    4.1001 C   0  0  0  0  0
    2.4668    1.5245    2.9987 C   0  0  0  0  0
    1.4621    0.5572    3.1450 C   0  0  0  0  0
   -2.5074   -0.5458   -1.2233 C   0  0  0  0  0
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   -5.6731   -6.1229   -2.7475 N   0  0  0  0  0
    1.0455    1.7916   -0.8610 H   0  0  0  0  0
    0.4316    2.3106    0.6950 H   0  0  0  0  0
   -1.1994    1.8173   -1.3176 H   0  0  0  0  0
   -1.6753    1.3772    0.3194 H   0  0  0  0  0
   -0.2489   -1.9949   -1.6177 H   0  0  0  0  0
    0.3140   -0.4926   -2.2853 H   0  0  0  0  0
    1.2337   -1.8929    0.1933 H   0  0  0  0  0
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    3.5319    1.8136    6.2273 H   0  0  0  0  0
    3.9881    2.7161    3.9649 H   0  0  0  0  0
    2.7109    1.9643    2.0378 H   0  0  0  0  0
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   -5.6102   -3.4768   -2.9853 H   0  0  0  0  0
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   -6.0386   -7.0667   -2.7774 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
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  2 32  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  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
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 12 13  2  0  0  0
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 20 25  1  0  0  0
 21 22  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL59397

>  <PubChem CID>
14969530

>  <Formula>
C22H23N3O3

>  <Molecular Weight>
377.444000

>  <IUPAC Name>
4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzamide

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C22H23N3O3/c23-21(27)16-5-7-17(8-6-16)22(28)24-13-11-18(12-14-24)25-19-4-2-1-3-15(19)9-10-20(25)26/h1-8,18H,9-14H2,(H2,23,27)

>  <InChI Key>
DKQSFOJXTNEPGS-UHFFFAOYSA-N

