1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-7-[4-(2-methylpropyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-7-[4-(2-methylpropyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-6-fluoro-7-(4-isobutylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-6-fluoro-7-[4-(2-methylpropyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-6-fluoro-7-[4-(2-methylpropyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-6-fluoro-7-(4-isobutylpiperazino)-4-keto-quinoline-3-carboxylic acid Formula: C24H24F3N3O3 MolecularWeight: 459.46087

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F

Isomeric SMILES

CC(C)CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F

InChI

InChI=1S/C24H24F3N3O3/c1-14(2)12-28-5-7-29(8-6-28)22-11-21-16(10-19(22)27)23(31)17(24(32)33)13-30(21)20-4-3-15(25)9-18(20)26/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,32,33)