1-cyclopropyl-7-[4-(3,3-dimethyl-2-oxidanylidene-butyl)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[4-(3,3-dimethyl-2-oxidanylidene-butyl)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-(3,3-dimethyl-2-oxo-butyl)piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-(3,3-dimethyl-2-oxobutyl)-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-(3,3-dimethyl-2-oxobutyl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-(2-keto-3,3-dimethyl-butyl)piperazino]quinoline-3-carboxylic acid Formula: C23H28FN3O4 MolecularWeight: 429.484523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN3O4/c1-23(2,3)20(28)13-25-6-8-26(9-7-25)19-11-18-15(10-17(19)24)21(29)16(22(30)31)12-27(18)14-4-5-14/h10-12,14H,4-9,13H2,1-3H3,(H,30,31)