[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-bromanyl-2-fluoranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-bromo-2-fluoro-benzoate CAS Name: 5-bromo-2-fluorobenzoic acid [2-[4-[anilino(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-bromo-2-fluorobenzoate Traditional Name: 5-bromo-2-fluoro-benzoic acid [2-keto-2-[4-(phenylcarbamoyl)piperazino]ethyl] ester Formula: C20H19BrFN3O4 MolecularWeight: 464.284963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=C(C=CC(=C2)Br)F)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=C(C=CC(=C2)Br)F)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H19BrFN3O4/c21-14-6-7-17(22)16(12-14)19(27)29-13-18(26)24-8-10-25(11-9-24)20(28)23-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,23,28)