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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(2-fluorobenzoyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(2-fluorobenzoyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[4-(2-fluorobenzoyl)piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C23H21F2N3O4 MolecularWeight: 441.427346

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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=C4F)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CC=C4F)F)C(=O)O

InChI

InChI=1S/C23H21F2N3O4/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)