[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-bromanyl-5-fluoranyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-bromanyl-5-fluoranyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-bromo-5-fluoro-benzoate CAS Name: 2-bromo-5-fluorobenzoic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-bromo-5-fluorobenzoate Traditional Name: 2-bromo-5-fluoro-benzoic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C20H20BrFN2O3 MolecularWeight: 435.286803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)F)Br

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)F)Br

InChI

InChI=1S/C20H20BrFN2O3/c1-14(27-20(26)17-13-15(22)7-8-18(17)21)19(25)24-11-9-23(10-12-24)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3