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

Systemtic Name: 4-[(4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-yl)carbonyl]-1-(phenylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-benzyl-4-(4-oxo-6,7-dihydro-5H-benzofuran-3-carbonyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[oxo-(4-oxo-6,7-dihydro-5H-benzofuran-3-yl)methyl]-1-(phenylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-4-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-benzyl-4-(4-keto-6,7-dihydro-5H-benzofuran-3-carbonyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=CO2)C(=O)N3CC(CN(C(=O)C3)CC4=CC=CC=C4)OCC5=CC=CC=N5

Isomeric SMILES

C1CC2=C(C(=O)C1)C(=CO2)C(=O)N3CC(CN(C(=O)C3)CC4=CC=CC=C4)OCC5=CC=CC=N5

InChI

InChI=1S/C27H27N3O5/c31-23-10-6-11-24-26(23)22(18-35-24)27(33)30-15-21(34-17-20-9-4-5-12-28-20)14-29(25(32)16-30)13-19-7-2-1-3-8-19/h1-5,7-9,12,18,21H,6,10-11,13-17H2