
 CHEMBL182557

 66 69  0  0  0  0  0  0  0  0999 V2000
    2.6737    0.5894    0.7921 C   0  0  0  0  0
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    4.0682   -1.2765   -1.8559 H   0  0  0  0  0
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    7.6509   -4.6409   -0.8877 H   0  0  0  0  0
   10.1512   -4.4178   -1.7470 H   0  0  0  0  0
   11.6059   -5.4900   -3.4179 H   0  0  0  0  0
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    5.8588    4.3417   -0.7075 H   0  0  0  0  0
  1  2  1  0  0  0
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 32 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL182557

>  <PubChem CID>
44392144

>  <Formula>
C29H33FN2O

>  <Molecular Weight>
444.594000

>  <IUPAC Name>
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(2-fluorophenyl)-N-methylacetamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C1CCN(CC1)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC4=CC=CC=C4F

>  <Isomeric SMILES>
CN(C1CCN(CC1)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC4=CC=CC=C4F

>  <InChI Std. ID>
InChI=1S/C29H33FN2O/c1-31(29(33)22-25-14-8-9-15-28(25)30)26-16-19-32(20-17-26)21-18-27(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,26-27H,16-22H2,1H3

>  <InChI Key>
AQSZXJNAEASUOL-UHFFFAOYSA-N

