2-[2-methoxy-4-[(E)-3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-methoxy-4-[(E)-3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methoxy-4-[(E)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]prop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[(E)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-keto-3-[4-(2-pyrimidyl)piperazino]prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N2CCN(CC2)C3=NC=CC=N3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3)OCC#N

InChI

InChI=1S/C20H21N5O3/c1-27-18-15-16(3-5-17(18)28-14-7-21)4-6-19(26)24-10-12-25(13-11-24)20-22-8-2-9-23-20/h2-6,8-9,15H,10-14H2,1H3/b6-4+