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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(phenylcarbamoyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(phenylcarbamoyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 7-[4-[anilino(oxo)methyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(phenylcarbamoyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-(phenylcarbamoyl)piperazino]quinoline-3-carboxylic acid Formula: C24H23FN4O4 MolecularWeight: 450.462223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)NC5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)NC5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C24H23FN4O4/c25-19-12-17-20(29(16-6-7-16)14-18(22(17)30)23(31)32)13-21(19)27-8-10-28(11-9-27)24(33)26-15-4-2-1-3-5-15/h1-5,12-14,16H,6-11H2,(H,26,33)(H,31,32)