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

Systemtic Name: 4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(2-methylpropyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-isobutyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(2-methylpropyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(2-methylpropyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-isobutyl-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)CC2=CC3=C(C(=C2)OC)OCO3)OCC4=CN=CC=C4

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)CC2=CC3=C(C(=C2)OC)OCO3)OCC4=CN=CC=C4

InChI

InChI=1S/C24H31N3O5/c1-17(2)10-27-13-20(30-15-18-5-4-6-25-9-18)12-26(14-23(27)28)11-19-7-21(29-3)24-22(8-19)31-16-32-24/h4-9,17,20H,10-16H2,1-3H3