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

Systemtic Name: 1-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one Openeye Name: 1-(1-oxidopyridin-1-ium-4-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one CAS Name: 1-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one IUPAC Name: 1-(1-oxidopyridin-1-ium-4-carbonyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one Traditional Name: 1-(1-oxidopyridin-1-ium-4-carbonyl)-4-[3-(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=C2)C(F)(F)F)C(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC(=CC=C2)C(F)(F)F)C(=O)C3=CC=[N+](C=C3)[O-]

InChI

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