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

Systemtic Name: 8-[bis(fluoranyl)methoxy]-6-fluoranyl-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-quinoline-3-carboxylic acid Openeye Name: 8-(difluoromethoxy)-6-fluoro-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-quinoline-3-carboxylic acid CAS Name: 8-(difluoromethoxy)-6-fluoro-4-oxo-7-[4-(2-pyrimidinyl)-1-piperazinyl]-1H-quinoline-3-carboxylic acid IUPAC Name: 8-(difluoromethoxy)-6-fluoro-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-quinoline-3-carboxylic acid Traditional Name: 8-(difluoromethoxy)-6-fluoro-4-keto-7-[4-(2-pyrimidyl)piperazino]-1H-quinoline-3-carboxylic acid Formula: C19H16F3N5O4 MolecularWeight: 435.35665

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C3C(=C2OC(F)F)NC=C(C3=O)C(=O)O)F)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C3C(=C2OC(F)F)NC=C(C3=O)C(=O)O)F)C4=NC=CC=N4

InChI

InChI=1S/C19H16F3N5O4/c20-12-8-10-13(25-9-11(15(10)28)17(29)30)16(31-18(21)22)14(12)26-4-6-27(7-5-26)19-23-2-1-3-24-19/h1-3,8-9,18H,4-7H2,(H,25,28)(H,29,30)