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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(phenylcarbonyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-(4-benzoylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-benzoyl-1-piperazinyl)-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-benzoylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-benzoylpiperazino)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H22FN3O4 MolecularWeight: 435.447583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22FN3O4/c25-19-12-17-20(28(16-6-7-16)14-18(22(17)29)24(31)32)13-21(19)26-8-10-27(11-9-26)23(30)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11H2,(H,31,32)