N-(2-morpholin-4-ylethyl)-4-phenethyl-2-(trifluoromethyl)oxepane-2-carboxamide

Systemtic Name: N-(2-morpholin-4-ylethyl)-4-phenethyl-2-(trifluoromethyl)oxepane-2-carboxamide Openeye Name: N-(2-morpholinoethyl)-4-phenethyl-2-(trifluoromethyl)oxepane-2-carboxamide CAS Name: N-[2-(4-morpholinyl)ethyl]-4-phenethyl-2-(trifluoromethyl)-2-oxepanecarboxamide IUPAC Name: N-(2-morpholin-4-ylethyl)-4-phenethyl-2-(trifluoromethyl)oxepane-2-carboxamide Traditional Name: N-(2-morpholinoethyl)-4-phenethyl-2-(trifluoromethyl)oxepane-2-carboxamide Formula: C22H31F3N2O3 MolecularWeight: 428.48835

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(OC1)(C(=O)NCCN2CCOCC2)C(F)(F)F)CCC3=CC=CC=C3

Isomeric SMILES

C1CC(CC(OC1)(C(=O)NCCN2CCOCC2)C(F)(F)F)CCC3=CC=CC=C3

InChI

InChI=1S/C22H31F3N2O3/c23-22(24,25)21(20(28)26-10-11-27-12-15-29-16-13-27)17-19(7-4-14-30-21)9-8-18-5-2-1-3-6-18/h1-3,5-6,19H,4,7-17H2,(H,26,28)