[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-(3-methylphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-(3-methylphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-(m-tolyl)prop-2-enoate CAS Name: (E)-3-(3-methylphenyl)-2-propenoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-(3-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(m-tolyl)acrylic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H22N4O3/c1-16-4-2-5-17(14-16)6-7-19(26)27-15-18(25)23-10-12-24(13-11-23)20-21-8-3-9-22-20/h2-9,14H,10-13,15H2,1H3/b7-6+