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

Systemtic Name: 4-[1-(4-chlorophenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propoxy]-3-methoxy-benzonitrile CAS Name: 4-[1-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]propoxy]-3-methoxybenzonitrile IUPAC Name: 4-[3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propoxy]-3-methoxybenzonitrile Traditional Name: 4-[3-(4-benzylpiperazino)-1-(4-chlorophenyl)propoxy]-3-methoxy-benzonitrile Formula: C28H30ClN3O2 MolecularWeight: 476.0097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(CCN2CCN(CC2)CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(CCN2CCN(CC2)CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H30ClN3O2/c1-33-28-19-23(20-30)7-12-27(28)34-26(24-8-10-25(29)11-9-24)13-14-31-15-17-32(18-16-31)21-22-5-3-2-4-6-22/h2-12,19,26H,13-18,21H2,1H3