N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3-methylphenyl)methyl-pentan-3-yl-amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3-methylphenyl)methyl-pentan-3-yl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[1-ethylpropyl(m-tolylmethyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3-methylphenyl)methyl-pentan-3-ylamino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3-methylphenyl)methyl-pentan-3-ylamino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[1-ethylpropyl-(3-methylbenzyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O4/c1-4-21(5-2)29(15-20-8-6-7-18(3)11-20)16-22-13-23(28-33-22)26(30)27-14-19-9-10-24-25(12-19)32-17-31-24/h6-13,21H,4-5,14-17H2,1-3H3,(H,27,30)