2-methyl-4-oxidanylidene-1-pyrrolidin-1-yl-5-[2,2,2-tris(fluoranyl)ethylamino]quinoline-3-carboxylic acid

Systemtic Name: 2-methyl-4-oxidanylidene-1-pyrrolidin-1-yl-5-[2,2,2-tris(fluoranyl)ethylamino]quinoline-3-carboxylic acid Openeye Name: 2-methyl-4-oxo-1-pyrrolidin-1-yl-5-(2,2,2-trifluoroethylamino)quinoline-3-carboxylic acid CAS Name: 2-methyl-4-oxo-1-(1-pyrrolidinyl)-5-(2,2,2-trifluoroethylamino)-3-quinolinecarboxylic acid IUPAC Name: 2-methyl-4-oxo-1-pyrrolidin-1-yl-5-(2,2,2-trifluoroethylamino)quinoline-3-carboxylic acid Traditional Name: 4-keto-2-methyl-1-pyrrolidino-5-(2,2,2-trifluoroethylamino)quinoline-3-carboxylic acid Formula: C17H18F3N3O3 MolecularWeight: 369.33833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1N3CCCC3)C=CC=C2NCC(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C(=O)C2=C(N1N3CCCC3)C=CC=C2NCC(F)(F)F)C(=O)O

InChI

InChI=1S/C17H18F3N3O3/c1-10-13(16(25)26)15(24)14-11(21-9-17(18,19)20)5-4-6-12(14)23(10)22-7-2-3-8-22/h4-6,21H,2-3,7-9H2,1H3,(H,25,26)