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

Systemtic Name: (4Z)-4-phenethylidene-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide Openeye Name: (4Z)-4-phenethylidene-N-(2-pyridylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide CAS Name: (4Z)-4-phenethylidene-N-(2-pyridinylmethyl)-2-(trifluoromethyl)-2-oxepanecarboxamide IUPAC Name: (4Z)-4-phenethylidene-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide Traditional Name: (4Z)-4-phenethylidene-N-(2-pyridylmethyl)-2-(trifluoromethyl)oxepane-2-carboxamide Formula: C22H23F3N2O2 MolecularWeight: 404.42543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CCC2=CC=CC=C2)CC(OC1)(C(=O)NCC3=CC=CC=N3)C(F)(F)F

Isomeric SMILES

C1C/C(=C/CC2=CC=CC=C2)/CC(OC1)(C(=O)NCC3=CC=CC=N3)C(F)(F)F

InChI

InChI=1S/C22H23F3N2O2/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/h1-5,7-8,10,12-13H,6,9,11,14-16H2,(H,27,28)/b18-12-