
 CHEMBL279236

 66 70  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
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  3  4  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL279236

>  <PubChem CID>
11236647

>  <Formula>
C30H31N3O2

>  <Molecular Weight>
465.597000

>  <IUPAC Name>
(E)-N-(1-benzylpiperidin-4-yl)-N-(1-formyl-2,3-dihydroindol-6-yl)-3-phenylprop-2-enamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1N(C2=CC3=C(CCN3C=O)C=C2)C(=O)C=CC4=CC=CC=C4)CC5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CCC1N(C2=CC3=C(CCN3C=O)C=C2)C(=O)/C=C/C4=CC=CC=C4)CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C30H31N3O2/c34-23-32-20-15-26-12-13-28(21-29(26)32)33(30(35)14-11-24-7-3-1-4-8-24)27-16-18-31(19-17-27)22-25-9-5-2-6-10-25/h1-14,21,23,27H,15-20,22H2/b14-11+

>  <InChI Key>
CBKJVXIOSUFELA-SDNWHVSQSA-N

