
 CHEMBL315879

 56 58  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL315879

>  <PubChem CID>
10644771

>  <Formula>
C22H28ClN3O2

>  <Molecular Weight>
401.935000

>  <IUPAC Name>
N-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3-methoxybenzamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC(=C1)C(=O)NCCCCN2CCN(CC2)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
COC1=CC=CC(=C1)C(=O)NCCCCN2CCN(CC2)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C22H28ClN3O2/c1-28-21-6-4-5-18(17-21)22(27)24-11-2-3-12-25-13-15-26(16-14-25)20-9-7-19(23)8-10-20/h4-10,17H,2-3,11-16H2,1H3,(H,24,27)

>  <InChI Key>
AUKXTTDRFKLJIH-UHFFFAOYSA-N

