6-azanyl-8-fluoranyl-1-methyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-8-fluoranyl-1-methyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-amino-8-fluoro-1-methyl-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 6-amino-8-fluoro-1-methyl-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-amino-8-fluoro-1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-amino-8-fluoro-4-keto-1-methyl-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C20H20FN5O3 MolecularWeight: 397.402903

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCN(CC3)C4=CC=CC=N4)N)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCN(CC3)C4=CC=CC=N4)N)C(=O)O

InChI

InChI=1S/C20H20FN5O3/c1-24-11-13(20(28)29)19(27)12-10-14(22)18(16(21)17(12)24)26-8-6-25(7-9-26)15-4-2-3-5-23-15/h2-5,10-11H,6-9,22H2,1H3,(H,28,29)