4-[[4-[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-3-(3,4-diethoxyphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-3-(3,4-diethoxyphenyl)acryloyl]piperazino]methyl]benzonitrile Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OCC

InChI

InChI=1S/C25H29N3O3/c1-3-30-23-11-9-20(17-24(23)31-4-2)10-12-25(29)28-15-13-27(14-16-28)19-22-7-5-21(18-26)6-8-22/h5-12,17H,3-4,13-16,19H2,1-2H3/b12-10+