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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[3-methylbutyl(phenethyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[isopentyl(phenethyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[3-methylbutyl(phenethyl)amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[3-methylbutyl(phenethyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[isoamyl(phenethyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O4/c1-19(2)10-12-29(13-11-20-6-4-3-5-7-20)17-22-15-23(28-33-22)26(30)27-16-21-8-9-24-25(14-21)32-18-31-24/h3-9,14-15,19H,10-13,16-18H2,1-2H3,(H,27,30)