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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)OC(F)F)N3CCN(C(C3)C)C4=NC=CC=N4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)OC(F)F)N3CCN(C(C3)C)C4=NC=CC=N4)F)C(=O)O

InChI

InChI=1S/C22H22F3N5O4/c1-3-28-11-14(20(32)33)18(31)13-9-15(23)17(19(16(13)28)34-21(24)25)29-7-8-30(12(2)10-29)22-26-5-4-6-27-22/h4-6,9,11-12,21H,3,7-8,10H2,1-2H3,(H,32,33)