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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butanenitrile Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-yl]-2-(3,4-dimethoxyphenyl)butanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]butanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butanenitrile Traditional Name: 2-[4-[(E)-cinnamyl]piperazino]-2-(3,4-dimethoxyphenyl)butyronitrile Formula: C25H31N3O2 MolecularWeight: 405.53254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2/c1-4-25(20-26,22-12-13-23(29-2)24(19-22)30-3)28-17-15-27(16-18-28)14-8-11-21-9-6-5-7-10-21/h5-13,19H,4,14-18H2,1-3H3/b11-8+