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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CCC(=O)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC1CN(CCN1CCC(=O)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C22H26FN3O4/c1-13-11-25(8-7-24(13)6-5-14(2)27)20-10-19-16(9-18(20)23)21(28)17(22(29)30)12-26(19)15-3-4-15/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,29,30)