4-[[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-3-phenylacryloyl]piperazino]methyl]benzonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O/c22-16-19-6-8-20(9-7-19)17-23-12-14-24(15-13-23)21(25)11-10-18-4-2-1-3-5-18/h1-11H,12-15,17H2/b11-10+