4-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-6-methyl-benzenecarbonitrile

Systemtic Name: 4-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-6-methyl-benzenecarbonitrile Openeye Name: 4-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-6-methyl-benzonitrile CAS Name: 4-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-6-methylbenzonitrile IUPAC Name: 4-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-6-methylbenzonitrile Traditional Name: 4-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-6-methyl-benzonitrile Formula: C31H27Cl2N3 MolecularWeight: 512.47218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=CC=C(C=C2)Cl)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C#N

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=CC=C(C=C2)Cl)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C#N

InChI

InChI=1S/C31H27Cl2N3/c1-22-19-26(23-7-11-27(32)12-8-23)20-30(29(22)21-34)35-15-17-36(18-16-35)31(24-5-3-2-4-6-24)25-9-13-28(33)14-10-25/h2-14,19-20,31H,15-18H2,1H3