3-[4-(phenylmethyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 3-(4-benzylpiperazin-1-yl)benzonitrile CAS Name: 3-[4-(phenylmethyl)-1-piperazinyl]benzonitrile IUPAC Name: 3-(4-benzylpiperazin-1-yl)benzonitrile Traditional Name: 3-(4-benzylpiperazino)benzonitrile Formula: C18H19N3 MolecularWeight: 277.36356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H19N3/c19-14-17-7-4-8-18(13-17)21-11-9-20(10-12-21)15-16-5-2-1-3-6-16/h1-8,13H,9-12,15H2