7-(3,5-dimethylpiperazin-1-yl)-6-fluoranyl-1-(5-fluoranylpyridin-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3,5-dimethylpiperazin-1-yl)-6-fluoranyl-1-(5-fluoranylpyridin-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-1-(5-fluoro-2-pyridyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1-(5-fluoro-2-pyridinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-1-(5-fluoropyridin-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3,5-dimethylpiperazino)-6-fluoro-1-(5-fluoro-2-pyridyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H20F2N4O3 MolecularWeight: 414.405306

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=NC=C(C=C4)F)F

Isomeric SMILES

CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=NC=C(C=C4)F)F

InChI

InChI=1S/C21H20F2N4O3/c1-11-8-26(9-12(2)25-11)18-6-17-14(5-16(18)23)20(28)15(21(29)30)10-27(17)19-4-3-13(22)7-24-19/h3-7,10-12,25H,8-9H2,1-2H3,(H,29,30)