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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[4-(2-methyl-3-oxidanylidene-butan-2-yl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-(1,1-dimethyl-2-oxo-propyl)piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-(2-methyl-3-oxobutan-2-yl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-(2-methyl-3-oxobutan-2-yl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-(2-keto-1,1-dimethyl-propyl)piperazino]quinoline-3-carboxylic acid Formula: C22H26FN3O4 MolecularWeight: 415.457943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC(=O)C(C)(C)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C22H26FN3O4/c1-13(27)22(2,3)25-8-6-24(7-9-25)19-11-18-15(10-17(19)23)20(28)16(21(29)30)12-26(18)14-4-5-14/h10-12,14H,4-9H2,1-3H3,(H,29,30)