1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-pyridin-3-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-pyridin-3-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-nicotinoylpiperazino)quinoline-3-carboxylic acid Formula: C22H21FN4O4 MolecularWeight: 424.424943

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CN=CC=C4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CN=CC=C4)F)C(=O)O

InChI

InChI=1S/C22H21FN4O4/c1-2-25-13-16(22(30)31)20(28)15-10-17(23)19(11-18(15)25)26-6-8-27(9-7-26)21(29)14-4-3-5-24-12-14/h3-5,10-13H,2,6-9H2,1H3,(H,30,31)