2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-(3-chlorophenyl)piperazino]methyl]benzonitrile Formula: C18H18ClN3 MolecularWeight: 311.80862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2C#N)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2C#N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H18ClN3/c19-17-6-3-7-18(12-17)22-10-8-21(9-11-22)14-16-5-2-1-4-15(16)13-20/h1-7,12H,8-11,14H2