5-[[1,3-benzodioxol-5-ylcarbonyl(phenethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[[1,3-benzodioxol-5-ylcarbonyl(phenethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-[[1,3-benzodioxole-5-carbonyl(phenethyl)amino]methyl]-N-isobutyl-isoxazole-3-carboxamide CAS Name: 5-[[[1,3-benzodioxol-5-yl(oxo)methyl]-phenethylamino]methyl]-N-(2-methylpropyl)-3-isoxazolecarboxamide IUPAC Name: 5-[[1,3-benzodioxole-5-carbonyl(phenethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide Traditional Name: N-isobutyl-5-[[phenethyl(piperonyloyl)amino]methyl]isoxazole-3-carboxamide Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=NOC(=C1)CN(CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CNC(=O)C1=NOC(=C1)CN(CCC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H27N3O5/c1-17(2)14-26-24(29)21-13-20(33-27-21)15-28(11-10-18-6-4-3-5-7-18)25(30)19-8-9-22-23(12-19)32-16-31-22/h3-9,12-13,17H,10-11,14-16H2,1-2H3,(H,26,29)