1-ethyl-6-fluoranyl-7-[4-(2-methyl-3-oxidanylidene-butan-2-yl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(2-methyl-3-oxidanylidene-butan-2-yl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(1,1-dimethyl-2-oxo-propyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-(2-methyl-3-oxobutan-2-yl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(2-methyl-3-oxobutan-2-yl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(2-keto-1,1-dimethyl-propyl)piperazino]quinoline-3-carboxylic acid Formula: C21H26FN3O4 MolecularWeight: 403.447243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O4/c1-5-23-12-15(20(28)29)19(27)14-10-16(22)18(11-17(14)23)24-6-8-25(9-7-24)21(3,4)13(2)26/h10-12H,5-9H2,1-4H3,(H,28,29)