4-(4-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenethyl-benzenecarbonitrile

Systemtic Name: 4-(4-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenethyl-benzenecarbonitrile Openeye Name: 4-(4-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenethyl-benzonitrile CAS Name: 4-(4-chlorophenyl)-2-[4-(2-methoxyphenyl)-1-piperazinyl]-6-phenethylbenzonitrile IUPAC Name: 4-(4-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenethylbenzonitrile Traditional Name: 4-(4-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazino]-6-phenethyl-benzonitrile Formula: C32H30ClN3O MolecularWeight: 508.0531

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=CC(=CC(=C3C#N)CCC4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=CC(=CC(=C3C#N)CCC4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C32H30ClN3O/c1-37-32-10-6-5-9-30(32)35-17-19-36(20-18-35)31-22-27(25-13-15-28(33)16-14-25)21-26(29(31)23-34)12-11-24-7-3-2-4-8-24/h2-10,13-16,21-22H,11-12,17-20H2,1H3