1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one

Systemtic Name: 1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one Openeye Name: 1-(1-oxidopyridin-1-ium-3-carbonyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one CAS Name: 1-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one IUPAC Name: 1-(1-oxidopyridin-1-ium-3-carbonyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one Traditional Name: 1-(1-oxidopyridin-1-ium-3-carbonyl)-4-[2-(trifluoromethyl)benzyl]-1,4-diazepan-5-one Formula: C19H18F3N3O3 MolecularWeight: 393.35973

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC=CC=C2C(F)(F)F)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC=CC=C2C(F)(F)F)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C19H18F3N3O3/c20-19(21,22)16-6-2-1-4-14(16)12-24-11-10-23(9-7-17(24)26)18(27)15-5-3-8-25(28)13-15/h1-6,8,13H,7,9-12H2