N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-cyanoethyl-(4-methylphenyl)carbonyl-amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-cyanoethyl-(4-methylphenyl)carbonyl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-cyanoethyl-(4-methylbenzoyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-cyanoethyl-[(4-methylphenyl)-oxomethyl]amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-cyanoethyl-(4-methylbenzoyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[2-cyanoethyl(p-toluoyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C24H22N4O5 MolecularWeight: 446.45528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O5/c1-16-3-6-18(7-4-16)24(30)28(10-2-9-25)14-19-12-20(27-33-19)23(29)26-13-17-5-8-21-22(11-17)32-15-31-21/h3-8,11-12H,2,10,13-15H2,1H3,(H,26,29)