N-(1,3-benzodioxol-5-ylmethyl)-5-[[phenethyl-(phenylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[phenethyl-(phenylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzyl(phenethyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[phenethyl-(phenylmethyl)amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzyl(phenethyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[benzyl(phenethyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NOC(=C3)CN(CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NOC(=C3)CN(CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O4/c32-28(29-17-23-11-12-26-27(15-23)34-20-33-26)25-16-24(35-30-25)19-31(18-22-9-5-2-6-10-22)14-13-21-7-3-1-4-8-21/h1-12,15-16H,13-14,17-20H2,(H,29,32)