2-[3-(1-azanylethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 2-[3-(1-azanylethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 2-[3-(1-aminoethyl)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 2-[3-(1-aminoethyl)pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C20H21F4N3O3 MolecularWeight: 427.392653

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(C1)C2=C(C(=O)C3=CC(=CC(=C3N2C4CC4)C(F)(F)F)F)C(=O)O)N

Isomeric SMILES

CC(C1CCN(C1)C2=C(C(=O)C3=CC(=CC(=C3N2C4CC4)C(F)(F)F)F)C(=O)O)N

InChI

InChI=1S/C20H21F4N3O3/c1-9(25)10-4-5-26(8-10)18-15(19(29)30)17(28)13-6-11(21)7-14(20(22,23)24)16(13)27(18)12-2-3-12/h6-7,9-10,12H,2-5,8,25H2,1H3,(H,29,30)