
 CHEMBL243794

 55 57  0  0  0  0  0  0  0  0999 V2000
   -2.0572   -0.6713   -4.2031 C   0  0  0  0  0
   -1.3519    0.4769   -3.5255 C   0  0  0  0  0
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    3.0348    2.7116   -1.8506 C   0  0  0  0  0
    3.3693    1.4552   -2.3805 C   0  0  0  0  0
    2.3163    0.6987   -2.9325 C   0  0  0  0  0
    4.7881    0.8876   -2.2328 C   0  0  0  0  0
    5.1529   -0.2716   -3.1883 C   0  0  0  0  0
    5.4315    0.2240   -4.6134 C   0  0  0  0  0
    6.5003    1.2372   -4.6885 N   0  0  0  0  0
    6.1854    2.3553   -3.7842 C   0  0  0  0  0
    5.9256    1.9296   -2.3358 C   0  0  0  0  0
    7.8245    0.6284   -4.4586 C   0  0  0  0  0
    9.0182    1.5582   -4.7228 C   0  0  0  0  0
    9.0232    2.1773   -6.1199 C   0  0  0  0  0
    9.1667    1.1309   -7.2119 C   0  0  0  0  0
    9.8303    0.1074   -7.0480 O   0  0  0  0  0
    8.5918    1.4027   -8.5594 C   0  0  0  0  0
    7.4351    2.1683   -8.7441 C   0  0  0  0  0
    6.9571    2.4123  -10.0364 C   0  0  0  0  0
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    9.2443    0.8568   -9.6749 C   0  0  0  0  0
    7.0373    2.1934  -12.7255 Cl  0  0  0  0  0
   -1.9770   -1.5690   -3.5840 H   0  0  0  0  0
   -1.6162   -0.8580   -5.1864 H   0  0  0  0  0
   -3.1136   -0.4241   -4.3394 H   0  0  0  0  0
    0.3662   -0.5700   -3.8953 H   0  0  0  0  0
   -0.2940    2.8484   -2.4904 H   0  0  0  0  0
    1.4962    4.1820   -1.5007 H   0  0  0  0  0
    3.7740    3.3359   -1.3576 H   0  0  0  0  0
    2.5068   -0.2976   -3.3159 H   0  0  0  0  0
    4.8133    0.4794   -1.2122 H   0  0  0  0  0
    4.3900   -1.0550   -3.2057 H   0  0  0  0  0
    6.0478   -0.7748   -2.7995 H   0  0  0  0  0
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    6.9779    3.1106   -3.8086 H   0  0  0  0  0
    5.2983    2.8725   -4.1729 H   0  0  0  0  0
    6.8416    1.4912   -1.9188 H   0  0  0  0  0
    5.7398    2.8159   -1.7232 H   0  0  0  0  0
    7.9282   -0.2406   -5.1205 H   0  0  0  0  0
    7.9206    0.2394   -3.4391 H   0  0  0  0  0
    9.9399    0.9814   -4.5737 H   0  0  0  0  0
    9.0450    2.3597   -3.9759 H   0  0  0  0  0
    9.8874    2.8465   -6.2102 H   0  0  0  0  0
    8.1321    2.7921   -6.2496 H   0  0  0  0  0
    6.8739    2.5660   -7.9032 H   0  0  0  0  0
    6.0597    3.0105  -10.1739 H   0  0  0  0  0
    9.2840    0.6789  -11.8212 H   0  0  0  0  0
   10.1350    0.2442   -9.5426 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
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 11 16  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL243794

>  <PubChem CID>
16756402

>  <Formula>
C23H27ClN2O2

>  <Molecular Weight>
398.931000

>  <IUPAC Name>
N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide

>  <XlogP>
4.000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)NC1=CC=CC(=C1)C2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CC(=O)NC1=CC=CC(=C1)C2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C23H27ClN2O2/c1-17(27)25-22-5-2-4-20(16-22)18-11-14-26(15-12-18)13-3-6-23(28)19-7-9-21(24)10-8-19/h2,4-5,7-10,16,18H,3,6,11-15H2,1H3,(H,25,27)

>  <InChI Key>
CVIMVOKGOJOOSP-UHFFFAOYSA-N

