4-but-2-ynoyl-1-propan-2-yl-6-[[4-(trifluoromethyloxy)phenyl]methoxy]-1,4-diazepan-2-one

Systemtic Name: 4-but-2-ynoyl-1-propan-2-yl-6-[[4-(trifluoromethyloxy)phenyl]methoxy]-1,4-diazepan-2-one Openeye Name: 4-but-2-ynoyl-1-isopropyl-6-[[4-(trifluoromethoxy)phenyl]methoxy]-1,4-diazepan-2-one CAS Name: 4-(1-oxobut-2-ynyl)-1-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methoxy]-1,4-diazepan-2-one IUPAC Name: 4-but-2-ynoyl-1-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methoxy]-1,4-diazepan-2-one Traditional Name: 4-but-2-ynoyl-1-isopropyl-6-[4-(trifluoromethoxy)benzyl]oxy-1,4-diazepan-2-one Formula: C20H23F3N2O4 MolecularWeight: 412.40283

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CC(CN(C(=O)C1)C(C)C)OCC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CC#CC(=O)N1CC(CN(C(=O)C1)C(C)C)OCC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C20H23F3N2O4/c1-4-5-18(26)24-10-17(11-25(14(2)3)19(27)12-24)28-13-15-6-8-16(9-7-15)29-20(21,22)23/h6-9,14,17H,10-13H2,1-3H3