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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-cyanoethyl(cyclohexylcarbonyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-cyanoethyl(cyclohexanecarbonyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-cyanoethyl-[cyclohexyl(oxo)methyl]amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-cyanoethyl(cyclohexanecarbonyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[2-cyanoethyl(cyclohexanecarbonyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CCC#N)CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)C(=O)N(CCC#N)CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H26N4O5/c24-9-4-10-27(23(29)17-5-2-1-3-6-17)14-18-12-19(26-32-18)22(28)25-13-16-7-8-20-21(11-16)31-15-30-20/h7-8,11-12,17H,1-6,10,13-15H2,(H,25,28)