3-(4-phenylpiperazin-1-yl)carbonylbenzenecarbonitrile

Systemtic Name: 3-(4-phenylpiperazin-1-yl)carbonylbenzenecarbonitrile Openeye Name: 3-(4-phenylpiperazine-1-carbonyl)benzonitrile CAS Name: 3-[oxo-(4-phenyl-1-piperazinyl)methyl]benzonitrile IUPAC Name: 3-(4-phenylpiperazine-1-carbonyl)benzonitrile Traditional Name: 3-(4-phenylpiperazine-1-carbonyl)benzonitrile Formula: C18H17N3O MolecularWeight: 291.34708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H17N3O/c19-14-15-5-4-6-16(13-15)18(22)21-11-9-20(10-12-21)17-7-2-1-3-8-17/h1-8,13H,9-12H2