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

Systemtic Name: 4-(1,3-benzodioxol-4-ylmethyl)-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(1,3-benzodioxol-4-ylmethyl)-1-isobutyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-(1,3-benzodioxol-4-ylmethyl)-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(1,3-benzodioxol-4-ylmethyl)-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(1,3-benzodioxol-4-ylmethyl)-1-isobutyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)CC2=C3C(=CC=C2)OCO3)OCC4=CC=NC=C4

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)CC2=C3C(=CC=C2)OCO3)OCC4=CC=NC=C4

InChI

InChI=1S/C23H29N3O4/c1-17(2)10-26-13-20(28-15-18-6-8-24-9-7-18)12-25(14-22(26)27)11-19-4-3-5-21-23(19)30-16-29-21/h3-9,17,20H,10-16H2,1-2H3