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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CCCC(=O)N1CCN(CC1C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

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