(3S,4S)-4-(azepan-1-ylcarbonyl)-3-(4-fluoranylphenoxy)-1-methyl-azetidin-2-one

Systemtic Name: (3S,4S)-4-(azepan-1-ylcarbonyl)-3-(4-fluoranylphenoxy)-1-methyl-azetidin-2-one Openeye Name: (3S,4S)-4-(azepane-1-carbonyl)-3-(4-fluorophenoxy)-1-methyl-azetidin-2-one CAS Name: (3S,4S)-4-[1-azepanyl(oxo)methyl]-3-(4-fluorophenoxy)-1-methyl-2-azetidinone IUPAC Name: (3S,4S)-4-(azepane-1-carbonyl)-3-(4-fluorophenoxy)-1-methylazetidin-2-one Traditional Name: (3S,4S)-4-(azepane-1-carbonyl)-3-(4-fluorophenoxy)-1-methyl-azetidin-2-one Formula: C17H21FN2O3 MolecularWeight: 320.358643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C1=O)OC2=CC=C(C=C2)F)C(=O)N3CCCCCC3

Isomeric SMILES

CN1[C@@H]([C@@H](C1=O)OC2=CC=C(C=C2)F)C(=O)N3CCCCCC3

InChI

InChI=1S/C17H21FN2O3/c1-19-14(16(21)20-10-4-2-3-5-11-20)15(17(19)22)23-13-8-6-12(18)7-9-13/h6-9,14-15H,2-5,10-11H2,1H3/t14-,15-/m0/s1