1-(oxan-4-ylmethyl)-4-[(4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-yl)carbonyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-(oxan-4-ylmethyl)-4-[(4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-yl)carbonyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(4-oxo-6,7-dihydro-5H-benzofuran-3-carbonyl)-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-4-[oxo-(4-oxo-6,7-dihydro-5H-benzofuran-3-yl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-(oxan-4-ylmethyl)-4-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(4-keto-6,7-dihydro-5H-benzofuran-3-carbonyl)-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C26H31N3O6 MolecularWeight: 481.54084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=CO2)C(=O)N3CC(CN(C(=O)C3)CC4CCOCC4)OCC5=CN=CC=C5

Isomeric SMILES

C1CC2=C(C(=O)C1)C(=CO2)C(=O)N3CC(CN(C(=O)C3)CC4CCOCC4)OCC5=CN=CC=C5

InChI

InChI=1S/C26H31N3O6/c30-22-4-1-5-23-25(22)21(17-35-23)26(32)29-14-20(34-16-19-3-2-8-27-11-19)13-28(24(31)15-29)12-18-6-9-33-10-7-18/h2-3,8,11,17-18,20H,1,4-7,9-10,12-16H2