1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-7-[4-(2-oxidanylidenepropyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-7-[4-(2-oxidanylidenepropyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-(4-acetonylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-[4-(2-oxopropyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-[4-(2-oxopropyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 7-(4-acetonylpiperazino)-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C21H24FN3O5 MolecularWeight: 417.430763

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1CCN(CC1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC(=O)CN1CCN(CC1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C21H24FN3O5/c1-12(26)10-23-5-7-24(8-6-23)18-16(22)9-14-17(20(18)30-2)25(13-3-4-13)11-15(19(14)27)21(28)29/h9,11,13H,3-8,10H2,1-2H3,(H,28,29)