5-azanyl-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[3-[[2,2,2-tris(fluoranyl)ethylamino]methyl]pyrrolidin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[3-[[2,2,2-tris(fluoranyl)ethylamino]methyl]pyrrolidin-1-yl]quinoline-3-carboxylic acid Openeye Name: 5-amino-1-ethyl-6,8-difluoro-4-oxo-7-[3-[(2,2,2-trifluoroethylamino)methyl]pyrrolidin-1-yl]quinoline-3-carboxylic acid CAS Name: 5-amino-1-ethyl-6,8-difluoro-4-oxo-7-[3-[(2,2,2-trifluoroethylamino)methyl]-1-pyrrolidinyl]-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-ethyl-6,8-difluoro-4-oxo-7-[3-[(2,2,2-trifluoroethylamino)methyl]pyrrolidin-1-yl]quinoline-3-carboxylic acid Traditional Name: 5-amino-1-ethyl-6,8-difluoro-4-keto-7-[3-[(2,2,2-trifluoroethylamino)methyl]pyrrolidino]quinoline-3-carboxylic acid Formula: C19H21F5N4O3 MolecularWeight: 448.387056

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C(=C(C(=C2N)F)N3CCC(C3)CNCC(F)(F)F)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C(=C(C(=C2N)F)N3CCC(C3)CNCC(F)(F)F)F)C(=O)O

InChI

InChI=1S/C19H21F5N4O3/c1-2-27-7-10(18(30)31)17(29)11-14(25)12(20)16(13(21)15(11)27)28-4-3-9(6-28)5-26-8-19(22,23)24/h7,9,26H,2-6,8,25H2,1H3,(H,30,31)