N-(1,3-benzodioxol-5-ylmethyl)-5-[[butan-2-yl(cyclopropylcarbonyl)amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[butan-2-yl(cyclopropylcarbonyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[cyclopropanecarbonyl(sec-butyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[butan-2-yl-[cyclopropyl(oxo)methyl]amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[cyclopropanecarbonyl(sec-butyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=NO1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4CC4

Isomeric SMILES

CCC(C)N(CC1=CC(=NO1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C4CC4

InChI

InChI=1S/C21H25N3O5/c1-3-13(2)24(21(26)15-5-6-15)11-16-9-17(23-29-16)20(25)22-10-14-4-7-18-19(8-14)28-12-27-18/h4,7-9,13,15H,3,5-6,10-12H2,1-2H3,(H,22,25)