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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 4-bromanyl-2-fluoranyl-benzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 4-bromo-2-fluoro-benzoate CAS Name: 4-bromo-2-fluorobenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-bromo-2-fluorobenzoate Traditional Name: 4-bromo-2-fluoro-benzoic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C20H20BrFN2O3 MolecularWeight: 435.286803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H20BrFN2O3/c21-16-6-7-17(18(22)12-16)20(26)27-14-19(25)24-10-8-23(9-11-24)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2