7-[4-(2-bromophenyl)carbonylpiperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(2-bromophenyl)carbonylpiperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-bromobenzoyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(2-bromophenyl)-oxomethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2-bromobenzoyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(2-bromobenzoyl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H21BrFN3O4 MolecularWeight: 502.332943

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CC=C4Br)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CC=C4Br)F)C(=O)O

InChI

InChI=1S/C23H21BrFN3O4/c1-2-26-13-16(23(31)32)21(29)15-11-18(25)20(12-19(15)26)27-7-9-28(10-8-27)22(30)14-5-3-4-6-17(14)24/h3-6,11-13H,2,7-10H2,1H3,(H,31,32)