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

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pentanedinitrile Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pentanedinitrile CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]pentanedinitrile IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pentanedinitrile Traditional Name: 2-[[4-(3-chlorophenyl)piperazino]methyl]glutaronitrile Formula: C16H19ClN4 MolecularWeight: 302.80186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CCC#N)C#N)C2=CC(=CC=C2)Cl

Isomeric SMILES

C1CN(CCN1CC(CCC#N)C#N)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H19ClN4/c17-15-4-1-5-16(11-15)21-9-7-20(8-10-21)13-14(12-19)3-2-6-18/h1,4-5,11,14H,2-3,7-10,13H2