1-cyclopropyl-6-fluoranyl-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-5-methyl-7-(3-methylpiperazino)-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C20H21F4N3O3 MolecularWeight: 427.392653

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C(=C3C(=C2C(F)(F)F)N(C=C(C3=O)C(=O)O)C4CC4)C)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C(=C3C(=C2C(F)(F)F)N(C=C(C3=O)C(=O)O)C4CC4)C)F

InChI

InChI=1S/C20H21F4N3O3/c1-9-7-26(6-5-25-9)17-14(20(22,23)24)16-13(10(2)15(17)21)18(28)12(19(29)30)8-27(16)11-3-4-11/h8-9,11,25H,3-7H2,1-2H3,(H,29,30)