1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(3-oxidanylidenebutyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(3-oxidanylidenebutyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(3-oxobutyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(3-oxobutyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(3-oxobutyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-(3-ketobutyl)piperazino]quinoline-3-carboxylic acid Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC(=O)CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C21H24FN3O4/c1-13(26)4-5-23-6-8-24(9-7-23)19-11-18-15(10-17(19)22)20(27)16(21(28)29)12-25(18)14-2-3-14/h10-12,14H,2-9H2,1H3,(H,28,29)