6-fluoranyl-1-(3-fluoranylpyridin-4-yl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(3-fluoranylpyridin-4-yl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(3-fluoro-4-pyridyl)-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(3-fluoro-4-pyridinyl)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(3-fluoropyridin-4-yl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(3-fluoro-4-pyridyl)-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C20H18F2N4O3 MolecularWeight: 400.378726

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=NC=C4)F)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=NC=C4)F)F

InChI

InChI=1S/C20H18F2N4O3/c1-24-4-6-25(7-5-24)18-9-17-12(8-14(18)21)19(27)13(20(28)29)11-26(17)16-2-3-23-10-15(16)22/h2-3,8-11H,4-7H2,1H3,(H,28,29)