1-propan-2-yl-4-(1H-pyrazol-4-ylcarbonyl)-6-[[4-(trifluoromethyloxy)phenyl]methoxy]-1,4-diazepan-2-one

Systemtic Name: 1-propan-2-yl-4-(1H-pyrazol-4-ylcarbonyl)-6-[[4-(trifluoromethyloxy)phenyl]methoxy]-1,4-diazepan-2-one Openeye Name: 1-isopropyl-4-(1H-pyrazole-4-carbonyl)-6-[[4-(trifluoromethoxy)phenyl]methoxy]-1,4-diazepan-2-one CAS Name: 4-[oxo(1H-pyrazol-4-yl)methyl]-1-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methoxy]-1,4-diazepan-2-one IUPAC Name: 1-propan-2-yl-4-(1H-pyrazole-4-carbonyl)-6-[[4-(trifluoromethoxy)phenyl]methoxy]-1,4-diazepan-2-one Traditional Name: 1-isopropyl-4-(1H-pyrazole-4-carbonyl)-6-[4-(trifluoromethoxy)benzyl]oxy-1,4-diazepan-2-one Formula: C20H23F3N4O4 MolecularWeight: 440.41623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC(CN(CC1=O)C(=O)C2=CNN=C2)OCC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC(C)N1CC(CN(CC1=O)C(=O)C2=CNN=C2)OCC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C20H23F3N4O4/c1-13(2)27-10-17(9-26(11-18(27)28)19(29)15-7-24-25-8-15)30-12-14-3-5-16(6-4-14)31-20(21,22)23/h3-8,13,17H,9-12H2,1-2H3,(H,24,25)