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

Systemtic Name: N-[(2S,3S)-3-chloranyl-2-(2-fluoranylquinolin-3-yl)-4-oxidanylidene-azetidin-1-yl]octanamide Openeye Name: N-[(2S,3S)-3-chloro-2-(2-fluoro-3-quinolyl)-4-oxo-azetidin-1-yl]octanamide CAS Name: N-[(2S,3S)-3-chloro-2-(2-fluoro-3-quinolinyl)-4-oxo-1-azetidinyl]octanamide IUPAC Name: N-[(2S,3S)-3-chloro-2-(2-fluoroquinolin-3-yl)-4-oxoazetidin-1-yl]octanamide Traditional Name: N-[(2S,3S)-3-chloro-2-(2-fluoro-3-quinolyl)-4-keto-azetidin-1-yl]caprylamide Formula: C20H23ClFN3O2 MolecularWeight: 391.866923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NN1C(C(C1=O)Cl)C2=CC3=CC=CC=C3N=C2F

Isomeric SMILES

CCCCCCCC(=O)NN1[C@H]([C@@H](C1=O)Cl)C2=CC3=CC=CC=C3N=C2F

InChI

InChI=1S/C20H23ClFN3O2/c1-2-3-4-5-6-11-16(26)24-25-18(17(21)20(25)27)14-12-13-9-7-8-10-15(13)23-19(14)22/h7-10,12,17-18H,2-6,11H2,1H3,(H,24,26)/t17-,18-/m0/s1