(4Z)-4-(3-oxidanylpropylidene)-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide

Systemtic Name: (4Z)-4-(3-oxidanylpropylidene)-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide Openeye Name: (4Z)-4-(3-hydroxypropylidene)-N-(2-pyridylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide CAS Name: (4Z)-4-(3-hydroxypropylidene)-N-(2-pyridinylmethyl)-2-(trifluoromethyl)-2-oxepanecarboxamide IUPAC Name: (4Z)-4-(3-hydroxypropylidene)-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide Traditional Name: (4Z)-4-(3-hydroxypropylidene)-N-(2-pyridylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide Formula: C17H21F3N2O3 MolecularWeight: 358.35545

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CCCO)CC(OC1)(C(=O)NCC2=CC=CC=N2)C(F)(F)F

Isomeric SMILES

C1C/C(=C/CCO)/CC(OC1)(C(=O)NCC2=CC=CC=N2)C(F)(F)F

InChI

InChI=1S/C17H21F3N2O3/c18-17(19,20)16(11-13(5-3-9-23)6-4-10-25-16)15(24)22-12-14-7-1-2-8-21-14/h1-2,5,7-8,23H,3-4,6,9-12H2,(H,22,24)/b13-5-