
 CHEMBL134143

 56 59  0  0  0  0  0  0  0  0999 V2000
    0.7468    1.4863    2.2465 C   0  0  0  0  0
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    0.7099   -1.8101    1.4876 H   0  0  0  0  0
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    3.0114   -1.1496    2.0812 H   0  0  0  0  0
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  3 16  1  0  0  0
  4  5  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL134143

>  <PubChem CID>
14966970

>  <Formula>
C27H25N3O

>  <Molecular Weight>
407.517000

>  <IUPAC Name>
2-[1-(3,3-diphenylpropanoyl)piperidin-4-ylidene]-2-pyridin-3-ylacetonitrile

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1=C(C#N)C2=CN=CC=C2)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCC1=C(C#N)C2=CN=CC=C2)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C27H25N3O/c28-19-26(24-12-7-15-29-20-24)23-13-16-30(17-14-23)27(31)18-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,15,20,25H,13-14,16-18H2

>  <InChI Key>
JSIZGZYXULERFB-UHFFFAOYSA-N

