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

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-(3-chloro-4-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4-fluorophenyl)-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-chloro-4-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-fluoro-phenyl)acrylic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C19H18ClFN4O3 MolecularWeight: 404.822623

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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)F)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)/C=C/C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H18ClFN4O3/c20-15-12-14(2-4-16(15)21)3-5-18(27)28-13-17(26)24-8-10-25(11-9-24)19-22-6-1-7-23-19/h1-7,12H,8-11,13H2/b5-3+