(2S,4R)-4-phenethyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide

Systemtic Name: (2S,4R)-4-phenethyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide Openeye Name: (2S,4R)-4-phenethyl-N-(2-pyridylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide CAS Name: (2S,4R)-4-phenethyl-N-(2-pyridinylmethyl)-2-(trifluoromethyl)-2-oxepanecarboxamide IUPAC Name: (2S,4R)-4-phenethyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide Traditional Name: (2S,4R)-4-phenethyl-N-(2-pyridylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide Formula: C22H25F3N2O2 MolecularWeight: 406.44131

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(OC1)(C(=O)NCC2=CC=CC=N2)C(F)(F)F)CCC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](C[C@](OC1)(C(=O)NCC2=CC=CC=N2)C(F)(F)F)CCC3=CC=CC=C3

InChI

InChI=1S/C22H25F3N2O2/c23-22(24,25)21(20(28)27-16-19-10-4-5-13-26-19)15-18(9-6-14-29-21)12-11-17-7-2-1-3-8-17/h1-5,7-8,10,13,18H,6,9,11-12,14-16H2,(H,27,28)/t18-,21-/m0/s1