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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[cyclohexylcarbonyl(phenethyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[cyclohexanecarbonyl(phenethyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[[cyclohexyl(oxo)methyl]-phenethylamino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[cyclohexanecarbonyl(phenethyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[cyclohexanecarbonyl(phenethyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CCC2=CC=CC=C2)CC3=CC(=NO3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)C(=O)N(CCC2=CC=CC=C2)CC3=CC(=NO3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H31N3O5/c32-27(29-17-21-11-12-25-26(15-21)35-19-34-25)24-16-23(36-30-24)18-31(14-13-20-7-3-1-4-8-20)28(33)22-9-5-2-6-10-22/h1,3-4,7-8,11-12,15-16,22H,2,5-6,9-10,13-14,17-19H2,(H,29,32)