2-[4-[(E)-3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-1-enyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-oxo-3-[4-(4-pyridylmethyl)piperazin-1-yl]prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-oxo-3-[4-(pyridin-4-ylmethyl)-1-piperazinyl]prop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-keto-3-[4-(4-pyridylmethyl)piperazino]prop-1-enyl]phenoxy]acetonitrile Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2/c22-9-16-27-20-4-1-18(2-5-20)3-6-21(26)25-14-12-24(13-15-25)17-19-7-10-23-11-8-19/h1-8,10-11H,12-17H2/b6-3+