N-[(2S,3S)-3-chloranyl-2-(2-fluoranyl-4-methyl-quinolin-3-yl)-4-oxidanylidene-azetidin-1-yl]octanamide

Systemtic Name: N-[(2S,3S)-3-chloranyl-2-(2-fluoranyl-4-methyl-quinolin-3-yl)-4-oxidanylidene-azetidin-1-yl]octanamide Openeye Name: N-[(2S,3S)-3-chloro-2-(2-fluoro-4-methyl-3-quinolyl)-4-oxo-azetidin-1-yl]octanamide CAS Name: N-[(2S,3S)-3-chloro-2-(2-fluoro-4-methyl-3-quinolinyl)-4-oxo-1-azetidinyl]octanamide IUPAC Name: N-[(2S,3S)-3-chloro-2-(2-fluoro-4-methylquinolin-3-yl)-4-oxoazetidin-1-yl]octanamide Traditional Name: N-[(2S,3S)-3-chloro-2-(2-fluoro-4-methyl-3-quinolyl)-4-keto-azetidin-1-yl]caprylamide Formula: C21H25ClFN3O2 MolecularWeight: 405.893503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NN1C(C(C1=O)Cl)C2=C(C3=CC=CC=C3N=C2F)C

Isomeric SMILES

CCCCCCCC(=O)NN1[C@H]([C@@H](C1=O)Cl)C2=C(C3=CC=CC=C3N=C2F)C

InChI

InChI=1S/C21H25ClFN3O2/c1-3-4-5-6-7-12-16(27)25-26-19(18(22)21(26)28)17-13(2)14-10-8-9-11-15(14)24-20(17)23/h8-11,18-19H,3-7,12H2,1-2H3,(H,25,27)/t18-,19-/m0/s1