2-[[4-[(E)-2-cyano-3-oxidanylidene-3-(4-phenylpiperazin-1-yl)prop-1-enyl]-2-methoxy-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[(E)-2-cyano-3-oxidanylidene-3-(4-phenylpiperazin-1-yl)prop-1-enyl]-2-methoxy-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[(E)-2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-enyl]-2-methoxy-phenoxy]methyl]benzonitrile CAS Name: 2-[[4-[(E)-2-cyano-3-oxo-3-(4-phenyl-1-piperazinyl)prop-1-enyl]-2-methoxyphenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-[(E)-2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-enyl]-2-methoxyphenoxy]methyl]benzonitrile Traditional Name: 2-[[4-[(E)-2-cyano-3-keto-3-(4-phenylpiperazino)prop-1-enyl]-2-methoxy-phenoxy]methyl]benzonitrile Formula: C29H26N4O3 MolecularWeight: 478.54174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCN(CC2)C3=CC=CC=C3)OCC4=CC=CC=C4C#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N2CCN(CC2)C3=CC=CC=C3)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C29H26N4O3/c1-35-28-18-22(11-12-27(28)36-21-24-8-6-5-7-23(24)19-30)17-25(20-31)29(34)33-15-13-32(14-16-33)26-9-3-2-4-10-26/h2-12,17-18H,13-16,21H2,1H3/b25-17+