3-(2-azanylpropan-2-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-2-pyrrolidin-1-yl-8-(trifluoromethyl)-2H-quinoline-3-carboxylic acid

Systemtic Name: 3-(2-azanylpropan-2-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-2-pyrrolidin-1-yl-8-(trifluoromethyl)-2H-quinoline-3-carboxylic acid Openeye Name: 3-(1-amino-1-methyl-ethyl)-1-cyclopropyl-6-fluoro-4-oxo-2-pyrrolidin-1-yl-8-(trifluoromethyl)-2H-quinoline-3-carboxylic acid CAS Name: 3-(2-aminopropan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-2-(1-pyrrolidinyl)-8-(trifluoromethyl)-2H-quinoline-3-carboxylic acid IUPAC Name: 3-(2-aminopropan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-2-pyrrolidin-1-yl-8-(trifluoromethyl)-2H-quinoline-3-carboxylic acid Traditional Name: 3-(1-amino-1-methyl-ethyl)-1-cyclopropyl-6-fluoro-4-keto-2-pyrrolidino-8-(trifluoromethyl)-2H-quinoline-3-carboxylic acid Formula: C21H25F4N3O3 MolecularWeight: 443.435113

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1(C(N(C2=C(C=C(C=C2C1=O)F)C(F)(F)F)C3CC3)N4CCCC4)C(=O)O)N

Isomeric SMILES

CC(C)(C1(C(N(C2=C(C=C(C=C2C1=O)F)C(F)(F)F)C3CC3)N4CCCC4)C(=O)O)N

InChI

InChI=1S/C21H25F4N3O3/c1-19(2,26)20(18(30)31)16(29)13-9-11(22)10-14(21(23,24)25)15(13)28(12-5-6-12)17(20)27-7-3-4-8-27/h9-10,12,17H,3-8,26H2,1-2H3,(H,30,31)