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

Systemtic Name: 8-[bis(fluoranyl)methoxy]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxo-7-[4-(2-pyrimidinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-keto-7-[4-(2-pyrimidyl)piperazino]quinoline-3-carboxylic acid Formula: C22H20F3N5O4 MolecularWeight: 475.42051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20F3N5O4/c23-15-10-13-16(30(12-2-3-12)11-14(18(13)31)20(32)33)19(34-21(24)25)17(15)28-6-8-29(9-7-28)22-26-4-1-5-27-22/h1,4-5,10-12,21H,2-3,6-9H2,(H,32,33)