
 CHEMBL494709

 67 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL494709

>  <PubChem CID>
25107520

>  <Formula>
C28H34N4O

>  <Molecular Weight>
442.607000

>  <IUPAC Name>
6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CCCCCC(=O)NCC2=CC=NC=C2)C3=CC=CC=C3C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCN1CCCCCC(=O)NCC2=CC=NC=C2)C3=CC=CC=C3C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C28H34N4O/c33-28(30-23-24-14-16-29-17-15-24)13-5-2-8-18-31-19-21-32(22-20-31)27-12-7-6-11-26(27)25-9-3-1-4-10-25/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-23H2,(H,30,33)

>  <InChI Key>
RIZPYDSXCAUQAK-UHFFFAOYSA-N

