8-[bis(fluoranyl)methyl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 8-[bis(fluoranyl)methyl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-(difluoromethyl)-6-fluoro-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-(difluoromethyl)-6-fluoro-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-(difluoromethyl)-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-8-(difluoromethyl)-6-fluoro-4-keto-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C23H21F3N4O3 MolecularWeight: 458.43305

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C(F)F)N4CCN(CC4)C5=CC=CC=N5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C(F)F)N4CCN(CC4)C5=CC=CC=N5)F)C(=O)O

InChI

InChI=1S/C23H21F3N4O3/c24-16-11-14-19(30(13-4-5-13)12-15(21(14)31)23(32)33)18(22(25)26)20(16)29-9-7-28(8-10-29)17-3-1-2-6-27-17/h1-3,6,11-13,22H,4-5,7-10H2,(H,32,33)