N-(1,3-benzodioxol-5-ylmethyl)-5-[[prop-2-enyl(pyridin-3-ylcarbonyl)amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[prop-2-enyl(pyridin-3-ylcarbonyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[[allyl(pyridine-3-carbonyl)amino]methyl]-N-(1,3-benzodioxol-5-ylmethyl)isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[[oxo(3-pyridinyl)methyl]-prop-2-enylamino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[prop-2-enyl(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[allyl(nicotinoyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC(=NO1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CN=CC=C4

Isomeric SMILES

C=CCN(CC1=CC(=NO1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H20N4O5/c1-2-8-26(22(28)16-4-3-7-23-12-16)13-17-10-18(25-31-17)21(27)24-11-15-5-6-19-20(9-15)30-14-29-19/h2-7,9-10,12H,1,8,11,13-14H2,(H,24,27)