1-cyclohexyl-4-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-4-(1-oxidopyridin-1-ium-3-carbonyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-(1-oxidopyridin-1-ium-3-carbonyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-4-(1-oxidopyridin-1-ium-3-carbonyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)C3=C[N+](=CC=C3)[O-])OCC4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)C3=C[N+](=CC=C3)[O-])OCC4=CC=CC=N4

InChI

InChI=1S/C23H28N4O4/c28-22-16-25(23(29)18-7-6-12-26(30)13-18)14-21(31-17-19-8-4-5-11-24-19)15-27(22)20-9-2-1-3-10-20/h4-8,11-13,20-21H,1-3,9-10,14-17H2