4-[(E)-3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-oxo-3-[4-(4-pyridylmethyl)piperazin-1-yl]prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-oxo-3-[4-(pyridin-4-ylmethyl)-1-piperazinyl]prop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-keto-3-[4-(4-pyridylmethyl)piperazino]prop-1-enyl]benzonitrile Formula: C20H20N4O MolecularWeight: 332.399

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)C=CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)/C=C/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20N4O/c21-15-18-3-1-17(2-4-18)5-6-20(25)24-13-11-23(12-14-24)16-19-7-9-22-10-8-19/h1-10H,11-14,16H2/b6-5+