4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-6-(2-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(4-oxanylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-6-(2-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C26H33N3O6 MolecularWeight: 483.55672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)CN3CC(CN(C(=O)C3)CC4CCOCC4)OCC5=CC=CC=N5

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)CN3CC(CN(C(=O)C3)CC4CCOCC4)OCC5=CC=CC=N5

InChI

InChI=1S/C26H33N3O6/c1-31-23-10-20(11-24-26(23)35-18-34-24)12-28-14-22(33-17-21-4-2-3-7-27-21)15-29(25(30)16-28)13-19-5-8-32-9-6-19/h2-4,7,10-11,19,22H,5-6,8-9,12-18H2,1H3