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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[3-methylbutanoyl(phenethyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[3-methylbutanoyl(phenethyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3-methyl-1-oxobutyl)-phenethylamino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[3-methylbutanoyl(phenethyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[isovaleryl(phenethyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CCC1=CC=CC=C1)CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CC(=O)N(CCC1=CC=CC=C1)CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H29N3O5/c1-18(2)12-25(30)29(11-10-19-6-4-3-5-7-19)16-21-14-22(28-34-21)26(31)27-15-20-8-9-23-24(13-20)33-17-32-23/h3-9,13-14,18H,10-12,15-17H2,1-2H3,(H,27,31)