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

Systemtic Name: 7-(3-azanylpyrrolidin-1-yl)-1-ethyl-6-fluoranyl-5-methyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 7-(3-amino-1-pyrrolidinyl)-1-ethyl-6-fluoro-5-methyl-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 7-(3-aminopyrrolidino)-1-ethyl-6-fluoro-4-keto-5-methyl-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C18H19F4N3O3 MolecularWeight: 401.355373

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C(C(=C(C(=C21)C(F)(F)F)N3CCC(C3)N)F)C)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C(C(=C(C(=C21)C(F)(F)F)N3CCC(C3)N)F)C)C(=O)O

InChI

InChI=1S/C18H19F4N3O3/c1-3-24-7-10(17(27)28)16(26)11-8(2)13(19)15(25-5-4-9(23)6-25)12(14(11)24)18(20,21)22/h7,9H,3-6,23H2,1-2H3,(H,27,28)