[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C17H18BrFN2O4 MolecularWeight: 413.238223

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)COC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)COC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C17H18BrFN2O4/c1-12(22)20-6-8-21(9-7-20)16(23)11-25-17(24)5-2-13-10-14(18)3-4-15(13)19/h2-5,10H,6-9,11H2,1H3/b5-2+