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

Systemtic Name: 4-[[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-3-(2-ethoxyphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-3-o-phenetylacryloyl]piperazino]methyl]benzonitrile Formula: C23H25N3O2 MolecularWeight: 375.4635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2/c1-2-28-22-6-4-3-5-21(22)11-12-23(27)26-15-13-25(14-16-26)18-20-9-7-19(17-24)8-10-20/h3-12H,2,13-16,18H2,1H3/b12-11+