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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[3-methylbutanoyl-(phenylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzyl(3-methylbutanoyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3-methyl-1-oxobutyl)-(phenylmethyl)amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzyl(3-methylbutanoyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[benzyl(isovaleryl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CC1=CC=CC=C1)CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CC(=O)N(CC1=CC=CC=C1)CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

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