7-[3-(aminomethyl)-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(aminomethyl)-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 7-[3-(aminomethyl)-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 7-[3-(aminomethyl)-3-methyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 7-[3-(aminomethyl)-3-methyl-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:

CC1(CCN(C1)C2=C(C=C3C(=C2C(F)(F)F)N(C=C(C3=O)C(=O)O)C4CC4)F)CN

Isomeric SMILES

CC1(CCN(C1)C2=C(C=C3C(=C2C(F)(F)F)N(C=C(C3=O)C(=O)O)C4CC4)F)CN

InChI

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