4-(1,3-benzodioxol-5-ylcarbonyl)-N-(2-methylpropyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbonyl)-N-(2-methylpropyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(1,3-benzodioxole-5-carbonyl)-N-isobutyl-1,4-diazepane-1-carboxamide CAS Name: 4-[1,3-benzodioxol-5-yl(oxo)methyl]-N-(2-methylpropyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(1,3-benzodioxole-5-carbonyl)-N-(2-methylpropyl)-1,4-diazepane-1-carboxamide Traditional Name: N-isobutyl-4-piperonyloyl-1,4-diazepane-1-carboxamide Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)N1CCCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CNC(=O)N1CCCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H25N3O4/c1-13(2)11-19-18(23)21-7-3-6-20(8-9-21)17(22)14-4-5-15-16(10-14)25-12-24-15/h4-5,10,13H,3,6-9,11-12H2,1-2H3,(H,19,23)