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

Systemtic Name: 7-[4-(3,3-dimethyl-2-oxidanylidene-butyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(3,3-dimethyl-2-oxo-butyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(3,3-dimethyl-2-oxobutyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(3,3-dimethyl-2-oxobutyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(2-keto-3,3-dimethyl-butyl)piperazino]quinoline-3-carboxylic acid Formula: C22H28FN3O4 MolecularWeight: 417.473823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O4/c1-5-25-12-15(21(29)30)20(28)14-10-16(23)18(11-17(14)25)26-8-6-24(7-9-26)13-19(27)22(2,3)4/h10-12H,5-9,13H2,1-4H3,(H,29,30)