1-cyclopropyl-7-(4-ethanoyl-3,5-dimethyl-piperazin-1-yl)-5,6,8-tris(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(4-ethanoyl-3,5-dimethyl-piperazin-1-yl)-5,6,8-tris(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-acetyl-3,5-dimethyl-piperazin-1-yl)-1-cyclopropyl-5,6,8-trifluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-acetyl-3,5-dimethyl-1-piperazinyl)-1-cyclopropyl-5,6,8-trifluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-acetyl-3,5-dimethylpiperazin-1-yl)-1-cyclopropyl-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-acetyl-3,5-dimethyl-piperazino)-1-cyclopropyl-5,6,8-trifluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H22F3N3O4 MolecularWeight: 437.41229

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)C)C)C2=C(C3=C(C(=C2F)F)C(=O)C(=CN3C4CC4)C(=O)O)F

Isomeric SMILES

CC1CN(CC(N1C(=O)C)C)C2=C(C3=C(C(=C2F)F)C(=O)C(=CN3C4CC4)C(=O)O)F

InChI

InChI=1S/C21H22F3N3O4/c1-9-6-25(7-10(2)27(9)11(3)28)19-16(23)15(22)14-18(17(19)24)26(12-4-5-12)8-13(20(14)29)21(30)31/h8-10,12H,4-7H2,1-3H3,(H,30,31)