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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-methylphenyl)methylamino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(p-tolylmethylamino)methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-methylphenyl)methylamino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-methylphenyl)methylamino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[(4-methylbenzyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)CNCC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O4/c1-14-2-4-15(5-3-14)10-22-12-17-9-18(24-28-17)21(25)23-11-16-6-7-19-20(8-16)27-13-26-19/h2-9,22H,10-13H2,1H3,(H,23,25)