2-(azetidin-1-yl)-1-cyclopropyl-3-[[ethyl-[2,2,2-tris(fluoranyl)ethanoyl]amino]methyl]-6,8-bis(fluoranyl)-4-oxidanylidene-2H-quinoline-3-carboxylic acid

Systemtic Name: 2-(azetidin-1-yl)-1-cyclopropyl-3-[[ethyl-[2,2,2-tris(fluoranyl)ethanoyl]amino]methyl]-6,8-bis(fluoranyl)-4-oxidanylidene-2H-quinoline-3-carboxylic acid Openeye Name: 2-(azetidin-1-yl)-1-cyclopropyl-3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]-6,8-difluoro-4-oxo-2H-quinoline-3-carboxylic acid CAS Name: 2-(1-azetidinyl)-1-cyclopropyl-3-[[ethyl-(2,2,2-trifluoro-1-oxoethyl)amino]methyl]-6,8-difluoro-4-oxo-2H-quinoline-3-carboxylic acid IUPAC Name: 2-(azetidin-1-yl)-1-cyclopropyl-3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]-6,8-difluoro-4-oxo-2H-quinoline-3-carboxylic acid Traditional Name: 2-(azetidin-1-yl)-1-cyclopropyl-3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]-6,8-difluoro-4-keto-2H-quinoline-3-carboxylic acid Formula: C21H22F5N3O4 MolecularWeight: 475.409096

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1(C(N(C2=C(C=C(C=C2C1=O)F)F)C3CC3)N4CCC4)C(=O)O)C(=O)C(F)(F)F

Isomeric SMILES

CCN(CC1(C(N(C2=C(C=C(C=C2C1=O)F)F)C3CC3)N4CCC4)C(=O)O)C(=O)C(F)(F)F

InChI

InChI=1S/C21H22F5N3O4/c1-2-27(18(31)21(24,25)26)10-20(19(32)33)16(30)13-8-11(22)9-14(23)15(13)29(12-4-5-12)17(20)28-6-3-7-28/h8-9,12,17H,2-7,10H2,1H3,(H,32,33)