1-cyclopropyl-6-fluoranyl-7-[3-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[3-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[3-(4-fluorophenyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[3-(4-fluorophenyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[3-(4-fluorophenyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-[3-(4-fluorophenyl)piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C23H21F2N3O3 MolecularWeight: 425.427946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C5=CC=C(C=C5)F)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C5=CC=C(C=C5)F)F)C(=O)O

InChI

InChI=1S/C23H21F2N3O3/c24-14-3-1-13(2-4-14)19-12-27(8-7-26-19)21-10-20-16(9-18(21)25)22(29)17(23(30)31)11-28(20)15-5-6-15/h1-4,9-11,15,19,26H,5-8,12H2,(H,30,31)