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

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)phenyl]-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-[4-(cyanomethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)phenyl]acrylic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C=CC3=CC=C(C=C3)OCC#N

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)/C=C/C3=CC=C(C=C3)OCC#N

InChI

InChI=1S/C21H21N5O4/c22-8-15-29-18-5-2-17(3-6-18)4-7-20(28)30-16-19(27)25-11-13-26(14-12-25)21-23-9-1-10-24-21/h1-7,9-10H,11-16H2/b7-4+