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

Systemtic Name: 4-(2,6-dimethoxypyridin-3-yl)carbonyl-1-(phenylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-benzyl-4-(2,6-dimethoxypyridine-3-carbonyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(2,6-dimethoxy-3-pyridinyl)-oxomethyl]-1-(phenylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-4-(2,6-dimethoxypyridine-3-carbonyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-benzyl-4-(2,6-dimethoxynicotinoyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C(=O)N2CC(CN(C(=O)C2)CC3=CC=CC=C3)OCC4=CC=CC=N4)OC

Isomeric SMILES

COC1=NC(=C(C=C1)C(=O)N2CC(CN(C(=O)C2)CC3=CC=CC=C3)OCC4=CC=CC=N4)OC

InChI

InChI=1S/C26H28N4O5/c1-33-23-12-11-22(25(28-23)34-2)26(32)30-16-21(35-18-20-10-6-7-13-27-20)15-29(24(31)17-30)14-19-8-4-3-5-9-19/h3-13,21H,14-18H2,1-2H3