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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-pyridin-4-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-(4-isonicotinoylpiperazino)-4-keto-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=CC=NC=C4)F)C(=O)O

Isomeric SMILES

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

InChI

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