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

Systemtic Name: 4-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-benzyl-4-(1-oxidopyridin-1-ium-4-carbonyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-1-(phenylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-4-(1-oxidopyridin-1-ium-4-carbonyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-benzyl-4-(1-oxidopyridin-1-ium-4-carbonyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1C(=O)C2=CC=[N+](C=C2)[O-])CC3=CC=CC=C3)OCC4=CN=CC=C4

Isomeric SMILES

C1C(CN(C(=O)CN1C(=O)C2=CC=[N+](C=C2)[O-])CC3=CC=CC=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C24H24N4O4/c29-23-17-27(24(30)21-8-11-28(31)12-9-21)16-22(32-18-20-7-4-10-25-13-20)15-26(23)14-19-5-2-1-3-6-19/h1-13,22H,14-18H2