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

Systemtic Name: 7-(3-azanylpyrrolidin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 7-(3-amino-1-pyrrolidinyl)-1-ethyl-6-fluoro-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 7-(3-aminopyrrolidino)-1-ethyl-6-fluoro-4-keto-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C17H17F4N3O3 MolecularWeight: 387.328793

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F4N3O3/c1-2-23-7-10(16(26)27)15(25)9-5-11(18)14(24-4-3-8(22)6-24)12(13(9)23)17(19,20)21/h5,7-8H,2-4,6,22H2,1H3,(H,26,27)