
 CHEMBL234641

 50 53  0  0  0  0  0  0  0  0999 V2000
    0.9137    2.0181    0.4454 C   0  0  0  0  0
   -0.5944    1.8876    0.2405 C   0  0  0  0  0
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    1.2217   -0.0773   -0.8813 C   0  0  0  0  0
    1.6062    0.6572    0.4044 C   0  0  0  0  0
    1.3035   -0.1476    1.5874 N   0  0  0  0  0
    1.8900    0.1009    2.8148 C   0  0  0  0  0
    2.7194    0.9818    3.0019 O   0  0  0  0  0
    1.4519   -0.8031    3.9191 C   0  0  0  0  0
    1.3806   -2.1772    3.6279 C   0  0  0  0  0
    1.0145   -3.0866    4.6122 C   0  0  0  0  0
    0.7294   -2.6340    5.8974 C   0  0  0  0  0
    0.8025   -1.2693    6.2189 C   0  0  0  0  0
    0.5204   -0.8490    7.5297 C   0  0  0  0  0
    0.5798    0.4980    7.8808 C   0  0  0  0  0
    0.9148    1.4439    6.9223 C   0  0  0  0  0
    1.1998    1.0419    5.6140 C   0  0  0  0  0
    1.1635   -0.3209    5.2268 C   0  0  0  0  0
   -2.3737    1.0750   -1.2163 C   0  0  0  0  0
   -3.1157    2.3944   -1.2713 C   0  0  0  0  0
   -4.0879    2.7017   -0.3063 C   0  0  0  0  0
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   -3.5163    4.5497   -2.3204 C   0  0  0  0  0
   -2.8385    3.3291   -2.2801 C   0  0  0  0  0
   -5.3078    6.3463   -1.3980 Cl  0  0  0  0  0
    1.3292    2.6557   -0.3466 H   0  0  0  0  0
    1.1092    2.5298    1.3945 H   0  0  0  0  0
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   -0.4831   -0.5692   -2.0748 H   0  0  0  0  0
    1.6198   -1.0993   -0.8710 H   0  0  0  0  0
    1.6815    0.4342   -1.7370 H   0  0  0  0  0
    2.6916    0.8179    0.4056 H   0  0  0  0  0
    0.4967   -0.7571    1.5644 H   0  0  0  0  0
    1.6426   -2.5483    2.6400 H   0  0  0  0  0
    0.9685   -4.1489    4.3870 H   0  0  0  0  0
    0.4562   -3.3630    6.6582 H   0  0  0  0  0
    0.2537   -1.5747    8.2955 H   0  0  0  0  0
    0.3664    0.8053    8.9014 H   0  0  0  0  0
    0.9638    2.4970    7.1880 H   0  0  0  0  0
    1.4638    1.8154    4.8950 H   0  0  0  0  0
   -2.8019    0.4416   -0.4275 H   0  0  0  0  0
   -2.5751    0.5603   -2.1656 H   0  0  0  0  0
   -4.3171    1.9959    0.4891 H   0  0  0  0  0
   -5.5106    4.1506    0.4103 H   0  0  0  0  0
   -3.2867    5.2677   -3.1026 H   0  0  0  0  0
   -2.0792    3.1103   -3.0285 H   0  0  0  0  0
  1  6  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  4  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 19  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 12 13  2  0  0  0
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 13 14  1  0  0  0
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 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
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 20 21  1  0  0  0
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 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
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 23 24  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL234641

>  <PubChem CID>
44431463

>  <Formula>
C23H23ClN2O

>  <Molecular Weight>
378.900000

>  <IUPAC Name>
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]naphthalene-1-carboxamide

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC1NC(=O)C2=CC=CC3=CC=CC=C32)CC4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1CN(CCC1NC(=O)C2=CC=CC3=CC=CC=C32)CC4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C23H23ClN2O/c24-19-10-8-17(9-11-19)16-26-14-12-20(13-15-26)25-23(27)22-7-3-5-18-4-1-2-6-21(18)22/h1-11,20H,12-16H2,(H,25,27)

>  <InChI Key>
AMSZGBUGZFGZJO-UHFFFAOYSA-N

