N-[(2S,3S)-3-chloranyl-2-(2-fluoranyl-7-methyl-quinolin-3-yl)-4-oxidanylidene-azetidin-1-yl]octanamide

Systemtic Name: N-[(2S,3S)-3-chloranyl-2-(2-fluoranyl-7-methyl-quinolin-3-yl)-4-oxidanylidene-azetidin-1-yl]octanamide Openeye Name: N-[(2S,3S)-3-chloro-2-(2-fluoro-7-methyl-3-quinolyl)-4-oxo-azetidin-1-yl]octanamide CAS Name: N-[(2S,3S)-3-chloro-2-(2-fluoro-7-methyl-3-quinolinyl)-4-oxo-1-azetidinyl]octanamide IUPAC Name: N-[(2S,3S)-3-chloro-2-(2-fluoro-7-methylquinolin-3-yl)-4-oxoazetidin-1-yl]octanamide Traditional Name: N-[(2S,3S)-3-chloro-2-(2-fluoro-7-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(N=C3C=C(C=CC3=C2)C)F

Isomeric SMILES

CCCCCCCC(=O)NN1[C@H]([C@@H](C1=O)Cl)C2=C(N=C3C=C(C=CC3=C2)C)F

InChI

InChI=1S/C21H25ClFN3O2/c1-3-4-5-6-7-8-17(27)25-26-19(18(22)21(26)28)15-12-14-10-9-13(2)11-16(14)24-20(15)23/h9-12,18-19H,3-8H2,1-2H3,(H,25,27)/t18-,19-/m0/s1