6-chloranyl-1-cyclopropyl-8-fluoranyl-7-[3-(4-methylphenyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-1-cyclopropyl-8-fluoranyl-7-[3-(4-methylphenyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-chloro-1-cyclopropyl-8-fluoro-4-oxo-7-[3-(p-tolyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 6-chloro-1-cyclopropyl-8-fluoro-7-[3-(4-methylphenyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-1-cyclopropyl-8-fluoro-7-[3-(4-methylphenyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-chloro-1-cyclopropyl-8-fluoro-4-keto-7-[3-(p-tolyl)piperazino]quinoline-3-carboxylic acid Formula: C24H23ClFN3O3 MolecularWeight: 455.909123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CN(CCN2)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2CN(CCN2)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)Cl

InChI

InChI=1S/C24H23ClFN3O3/c1-13-2-4-14(5-3-13)19-12-28(9-8-27-19)22-18(25)10-16-21(20(22)26)29(15-6-7-15)11-17(23(16)30)24(31)32/h2-5,10-11,15,19,27H,6-9,12H2,1H3,(H,31,32)