4-(1,3-benzodioxol-5-ylcarbonyl)-1-(2-methylpropyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbonyl)-1-(2-methylpropyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(1,3-benzodioxole-5-carbonyl)-1-isobutyl-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-(2-methylpropyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(1,3-benzodioxole-5-carbonyl)-1-(2-methylpropyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-isobutyl-4-piperonyloyl-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)C(=O)C2=CC3=C(C=C2)OCO3)OCC4=CC=CC=N4

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)C(=O)C2=CC3=C(C=C2)OCO3)OCC4=CC=CC=N4

InChI

InChI=1S/C23H27N3O5/c1-16(2)10-25-11-19(29-14-18-5-3-4-8-24-18)12-26(13-22(25)27)23(28)17-6-7-20-21(9-17)31-15-30-20/h3-9,16,19H,10-15H2,1-2H3