4-(1,3-benzodioxol-4-ylmethyl)-1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(1,3-benzodioxol-4-ylmethyl)-1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(1,3-benzodioxol-4-ylmethyl)-6-(2-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 4-(1,3-benzodioxol-4-ylmethyl)-1-(4-oxanylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(1,3-benzodioxol-4-ylmethyl)-1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(1,3-benzodioxol-4-ylmethyl)-6-(2-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(CN(CC2=O)CC3=C4C(=CC=C3)OCO4)OCC5=CC=CC=N5

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)CC3=C4C(=CC=C3)OCO4)OCC5=CC=CC=N5

InChI

InChI=1S/C25H31N3O5/c29-24-16-27(13-20-4-3-6-23-25(20)33-18-32-23)14-22(31-17-21-5-1-2-9-26-21)15-28(24)12-19-7-10-30-11-8-19/h1-6,9,19,22H,7-8,10-18H2