N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-pyridin-3-ylcarbonyl-amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-pyridin-3-ylcarbonyl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-[oxo(3-pyridinyl)methyl]amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[2-(4-methoxyphenyl)ethyl-nicotinoyl-amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C28H26N4O6 MolecularWeight: 514.52924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN(CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CCN(CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C28H26N4O6/c1-35-22-7-4-19(5-8-22)10-12-32(28(34)21-3-2-11-29-16-21)17-23-14-24(31-38-23)27(33)30-15-20-6-9-25-26(13-20)37-18-36-25/h2-9,11,13-14,16H,10,12,15,17-18H2,1H3,(H,30,33)