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

Systemtic Name: (2S,4R)-4-propyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide Openeye Name: (2S,4R)-4-propyl-N-(2-pyridylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide CAS Name: (2S,4R)-4-propyl-N-(2-pyridinylmethyl)-2-(trifluoromethyl)-2-oxepanecarboxamide IUPAC Name: (2S,4R)-4-propyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide Traditional Name: (2S,4R)-4-propyl-N-(2-pyridylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide Formula: C17H23F3N2O2 MolecularWeight: 344.37193

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCOC(C1)(C(=O)NCC2=CC=CC=N2)C(F)(F)F

Isomeric SMILES

CCC[C@@H]1CCCO[C@@](C1)(C(=O)NCC2=CC=CC=N2)C(F)(F)F

InChI

InChI=1S/C17H23F3N2O2/c1-2-6-13-7-5-10-24-16(11-13,17(18,19)20)15(23)22-12-14-8-3-4-9-21-14/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,22,23)/t13-,16+/m1/s1