2-(3,4-dimethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-yl]-2-(3,4-dimethoxyphenyl)acetonitrile CAS Name: 2-(3,4-dimethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetonitrile Traditional Name: 2-[4-[(E)-cinnamyl]piperazino]-2-(3,4-dimethoxyphenyl)acetonitrile Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)N2CCN(CC2)CC=CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C#N)N2CCN(CC2)C/C=C/C3=CC=CC=C3)OC

InChI

InChI=1S/C23H27N3O2/c1-27-22-11-10-20(17-23(22)28-2)21(18-24)26-15-13-25(14-16-26)12-6-9-19-7-4-3-5-8-19/h3-11,17,21H,12-16H2,1-2H3/b9-6+