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

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (Z)-2-acetamido-3-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] (Z)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (Z)-2-acetamido-3-phenyl-acrylic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-16(27)24-18(14-17-6-3-2-4-7-17)20(29)30-15-19(28)25-10-12-26(13-11-25)21-22-8-5-9-23-21/h2-9,14H,10-13,15H2,1H3,(H,24,27)/b18-14-