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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[3-(methylaminomethyl)-1-pyrrolidinyl]-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[3-(methylaminomethyl)pyrrolidino]-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C20H21F4N3O3 MolecularWeight: 427.392653

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC1CCN(C1)C2=C(C=C3C(=C2C(F)(F)F)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CNCC1CCN(C1)C2=C(C=C3C(=C2C(F)(F)F)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

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