4-(1-benzofuran-2-ylmethyl)-1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(1-benzofuran-2-ylmethyl)-1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(benzofuran-2-ylmethyl)-6-(2-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 4-(2-benzofuranylmethyl)-1-(4-oxanylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(1-benzofuran-2-ylmethyl)-1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(benzofuran-2-ylmethyl)-6-(2-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(CN(CC2=O)CC3=CC4=CC=CC=C4O3)OCC5=CC=CC=N5

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)CC3=CC4=CC=CC=C4O3)OCC5=CC=CC=N5

InChI

InChI=1S/C26H31N3O4/c30-26-18-28(15-23-13-21-5-1-2-7-25(21)33-23)16-24(32-19-22-6-3-4-10-27-22)17-29(26)14-20-8-11-31-12-9-20/h1-7,10,13,20,24H,8-9,11-12,14-19H2