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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[cyclohexylmethyl(pentan-3-yl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[cyclohexylmethyl(1-ethylpropyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[cyclohexylmethyl(pentan-3-yl)amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[cyclohexylmethyl(pentan-3-yl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[cyclohexylmethyl(1-ethylpropyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C25H35N3O4 MolecularWeight: 441.5631

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N(CC1CCCCC1)CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(CC)N(CC1CCCCC1)CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H35N3O4/c1-3-20(4-2)28(15-18-8-6-5-7-9-18)16-21-13-22(27-32-21)25(29)26-14-19-10-11-23-24(12-19)31-17-30-23/h10-13,18,20H,3-9,14-17H2,1-2H3,(H,26,29)