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

Systemtic Name: 4-(4-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-benzenecarbonitrile Openeye Name: 4-(4-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-benzonitrile CAS Name: 4-(4-chlorophenyl)-2-[4-(2-methoxyphenyl)-1-piperazinyl]-6-methylbenzonitrile IUPAC Name: 4-(4-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylbenzonitrile Traditional Name: 4-(4-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazino]-6-methyl-benzonitrile Formula: C25H24ClN3O MolecularWeight: 417.93056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=CC=C(C=C2)Cl)N3CCN(CC3)C4=CC=CC=C4OC)C#N

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=CC=C(C=C2)Cl)N3CCN(CC3)C4=CC=CC=C4OC)C#N

InChI

InChI=1S/C25H24ClN3O/c1-18-15-20(19-7-9-21(26)10-8-19)16-24(22(18)17-27)29-13-11-28(12-14-29)23-5-3-4-6-25(23)30-2/h3-10,15-16H,11-14H2,1-2H3