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

Systemtic Name: 5-azanyl-1-cyclopropyl-7-[3-(dimethylaminomethyl)pyrrolidin-1-yl]-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-7-[3-(dimethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-7-[3-(dimethylaminomethyl)-1-pyrrolidinyl]-6-fluoro-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-7-[3-(dimethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-7-[3-(dimethylaminomethyl)pyrrolidino]-6-fluoro-4-keto-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C21H24F4N4O3 MolecularWeight: 456.433873

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCN(C1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)C(F)(F)F

Isomeric SMILES

CN(C)CC1CCN(C1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)C(F)(F)F

InChI

InChI=1S/C21H24F4N4O3/c1-27(2)7-10-5-6-28(8-10)18-14(21(23,24)25)17-13(16(26)15(18)22)19(30)12(20(31)32)9-29(17)11-3-4-11/h9-11H,3-8,26H2,1-2H3,(H,31,32)