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

Systemtic Name: 2-[[4-[(E)-2-cyano-3-oxidanylidene-3-(4-phenylpiperazin-1-yl)prop-1-enyl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[(E)-2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-enyl]phenoxy]methyl]benzonitrile CAS Name: 2-[[4-[(E)-2-cyano-3-oxo-3-(4-phenyl-1-piperazinyl)prop-1-enyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-[(E)-2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-enyl]phenoxy]methyl]benzonitrile Traditional Name: 2-[[4-[(E)-2-cyano-3-keto-3-(4-phenylpiperazino)prop-1-enyl]phenoxy]methyl]benzonitrile Formula: C28H24N4O2 MolecularWeight: 448.51576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC=C4C#N)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC=CC=C4C#N)/C#N

InChI

InChI=1S/C28H24N4O2/c29-19-23-6-4-5-7-24(23)21-34-27-12-10-22(11-13-27)18-25(20-30)28(33)32-16-14-31(15-17-32)26-8-2-1-3-9-26/h1-13,18H,14-17,21H2/b25-18+