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

Systemtic Name: 2-[4-[[4-(2-chlorophenyl)carbonylpiperazin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(2-chlorobenzoyl)piperazin-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-[(2-chlorophenyl)-oxomethyl]-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(2-chlorobenzoyl)piperazin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(2-chlorobenzoyl)piperazino]methyl]phenyl]benzonitrile Formula: C25H22ClN3O MolecularWeight: 415.91468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H22ClN3O/c26-24-8-4-3-7-23(24)25(30)29-15-13-28(14-16-29)18-19-9-11-20(12-10-19)22-6-2-1-5-21(22)17-27/h1-12H,13-16,18H2