4-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-1-propan-2-yl-6-[[4-(trifluoromethyloxy)phenyl]methoxy]-1,4-diazepan-2-one

Systemtic Name: 4-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-1-propan-2-yl-6-[[4-(trifluoromethyloxy)phenyl]methoxy]-1,4-diazepan-2-one Openeye Name: 1-isopropyl-4-(1-oxidopyridin-1-ium-4-carbonyl)-6-[[4-(trifluoromethoxy)phenyl]methoxy]-1,4-diazepan-2-one CAS Name: 4-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-1-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methoxy]-1,4-diazepan-2-one IUPAC Name: 4-(1-oxidopyridin-1-ium-4-carbonyl)-1-propan-2-yl-6-[[4-(trifluoromethoxy)phenyl]methoxy]-1,4-diazepan-2-one Traditional Name: 1-isopropyl-4-(1-oxidopyridin-1-ium-4-carbonyl)-6-[4-(trifluoromethoxy)benzyl]oxy-1,4-diazepan-2-one Formula: C22H24F3N3O5 MolecularWeight: 467.43827

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC(CN(CC1=O)C(=O)C2=CC=[N+](C=C2)[O-])OCC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC(C)N1CC(CN(CC1=O)C(=O)C2=CC=[N+](C=C2)[O-])OCC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C22H24F3N3O5/c1-15(2)28-12-19(32-14-16-3-5-18(6-4-16)33-22(23,24)25)11-26(13-20(28)29)21(30)17-7-9-27(31)10-8-17/h3-10,15,19H,11-14H2,1-2H3