4-(1,3-benzodioxol-4-ylmethyl)-1-[(4-methoxyphenyl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(1,3-benzodioxol-4-ylmethyl)-1-[(4-methoxyphenyl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(1,3-benzodioxol-4-ylmethyl)-1-[(4-methoxyphenyl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-(1,3-benzodioxol-4-ylmethyl)-1-[(4-methoxyphenyl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(1,3-benzodioxol-4-ylmethyl)-1-[(4-methoxyphenyl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(1,3-benzodioxol-4-ylmethyl)-1-p-anisyl-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)CC3=C4C(=CC=C3)OCO4)OCC5=CN=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)CC3=C4C(=CC=C3)OCO4)OCC5=CN=CC=C5

InChI

InChI=1S/C27H29N3O5/c1-32-23-9-7-20(8-10-23)13-30-16-24(33-18-21-4-3-11-28-12-21)15-29(17-26(30)31)14-22-5-2-6-25-27(22)35-19-34-25/h2-12,24H,13-19H2,1H3