3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[(E)-cinnamyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[(E)-cinnamyl]piperazine-1-carbonyl]benzonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H21N3O/c22-17-19-8-4-10-20(16-19)21(25)24-14-12-23(13-15-24)11-5-9-18-6-2-1-3-7-18/h1-10,16H,11-15H2/b9-5+