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

Systemtic Name: 8-[bis(fluoranyl)methoxy]-6-fluoranyl-4-oxidanylidene-1-propan-2-yl-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 8-(difluoromethoxy)-6-fluoro-1-isopropyl-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 8-(difluoromethoxy)-6-fluoro-4-oxo-1-propan-2-yl-7-[4-(2-pyrimidinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 8-(difluoromethoxy)-6-fluoro-4-oxo-1-propan-2-yl-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 8-(difluoromethoxy)-6-fluoro-1-isopropyl-4-keto-7-[4-(2-pyrimidyl)piperazino]quinoline-3-carboxylic acid Formula: C22H22F3N5O4 MolecularWeight: 477.43639

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=O)C2=CC(=C(C(=C21)OC(F)F)N3CCN(CC3)C4=NC=CC=N4)F)C(=O)O

Isomeric SMILES

CC(C)N1C=C(C(=O)C2=CC(=C(C(=C21)OC(F)F)N3CCN(CC3)C4=NC=CC=N4)F)C(=O)O

InChI

InChI=1S/C22H22F3N5O4/c1-12(2)30-11-14(20(32)33)18(31)13-10-15(23)17(19(16(13)30)34-21(24)25)28-6-8-29(9-7-28)22-26-4-3-5-27-22/h3-5,10-12,21H,6-9H2,1-2H3,(H,32,33)