3-[1-(4-chlorophenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 3-[1-(4-chlorophenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 3-[3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propoxy]benzonitrile CAS Name: 3-[1-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 3-[3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propoxy]benzonitrile Traditional Name: 3-[3-(4-benzylpiperazino)-1-(4-chlorophenyl)propoxy]benzonitrile Formula: C27H28ClN3O MolecularWeight: 445.98372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC=C(C=C2)Cl)OC3=CC=CC(=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=C(C=C2)Cl)OC3=CC=CC(=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C27H28ClN3O/c28-25-11-9-24(10-12-25)27(32-26-8-4-7-23(19-26)20-29)13-14-30-15-17-31(18-16-30)21-22-5-2-1-3-6-22/h1-12,19,27H,13-18,21H2