6-oxidanyl-1-(pyridin-3-ylmethyl)-4-[[4-(trifluoromethyloxy)phenyl]methyl]-1,4-diazepan-2-one

Systemtic Name: 6-oxidanyl-1-(pyridin-3-ylmethyl)-4-[[4-(trifluoromethyloxy)phenyl]methyl]-1,4-diazepan-2-one Openeye Name: 6-hydroxy-1-(3-pyridylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepan-2-one CAS Name: 6-hydroxy-1-(3-pyridinylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepan-2-one IUPAC Name: 6-hydroxy-1-(pyridin-3-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepan-2-one Traditional Name: 6-hydroxy-1-(3-pyridylmethyl)-4-[4-(trifluoromethoxy)benzyl]-1,4-diazepan-2-one Formula: C19H20F3N3O3 MolecularWeight: 395.37561

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1CC2=CC=C(C=C2)OC(F)(F)F)CC3=CN=CC=C3)O

Isomeric SMILES

C1C(CN(C(=O)CN1CC2=CC=C(C=C2)OC(F)(F)F)CC3=CN=CC=C3)O

InChI

InChI=1S/C19H20F3N3O3/c20-19(21,22)28-17-5-3-14(4-6-17)9-24-11-16(26)12-25(18(27)13-24)10-15-2-1-7-23-8-15/h1-8,16,26H,9-13H2