2-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1,4-diazepan-1-yl]-N-tert-butylacetamide IUPAC Name: 2-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-N-tert-butylacetamide Traditional Name: N-tert-butyl-2-(4-piperonyloyl-1,4-diazepan-1-yl)acetamide Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H27N3O4/c1-19(2,3)20-17(23)12-21-7-4-8-22(10-9-21)18(24)14-5-6-15-16(11-14)26-13-25-15/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,20,23)