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

Systemtic Name: 7-[4-(2-azanyl-3-methyl-butanoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-amino-3-methyl-butanoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(2-amino-3-methyl-1-oxobutyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2-amino-3-methylbutanoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(2-amino-3-methyl-butanoyl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H27FN4O4 MolecularWeight: 430.472583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN4O4/c1-12(2)19(24)21(29)26-7-5-25(6-8-26)18-10-17-14(9-16(18)23)20(28)15(22(30)31)11-27(17)13-3-4-13/h9-13,19H,3-8,24H2,1-2H3,(H,30,31)