
 CHEMBL426960

 72 75  0  0  0  0  0  0  0  0999 V2000
    2.6914    1.5631   -3.3278 C   0  0  0  0  0
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  1  2  2  0  0  0
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M  CHG  2  35   1  37  -1
M  END

>  <Chemical Name>
CHEMBL426960

>  <PubChem CID>
44392094

>  <Formula>
C31H35N3O3

>  <Molecular Weight>
497.639000

>  <IUPAC Name>
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-nitrophenyl)-N-prop-2-enylacetamide

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C=CCN(C1CCN(CC1)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

>  <Isomeric SMILES>
C=CCN(C1CCN(CC1)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

>  <InChI Std. ID>
InChI=1S/C31H35N3O3/c1-2-20-33(31(35)24-25-13-15-29(16-14-25)34(36)37)28-17-21-32(22-18-28)23-19-30(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h2-16,28,30H,1,17-24H2

>  <InChI Key>
AKEHDJQAUFRJKQ-UHFFFAOYSA-N

