5-[[2-(1-benzofuran-2-yl)-5-butyl-5-ethyl-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole

Systemtic Name: 5-[[2-(1-benzofuran-2-yl)-5-butyl-5-ethyl-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole Openeye Name: 5-[[2-(benzofuran-2-yl)-5-butyl-5-ethyl-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole CAS Name: 5-[[2-(2-benzofuranyl)-5-butyl-5-ethyl-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole IUPAC Name: 5-[[2-(1-benzofuran-2-yl)-5-butyl-5-ethyl-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole Traditional Name: 5-[[2-(benzofuran-2-yl)-5-butyl-5-ethyl-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(COC(OC1)(CC2=NC=NN2)C3=CC4=CC=CC=C4O3)CC

Isomeric SMILES

CCCCC1(COC(OC1)(CC2=NC=NN2)C3=CC4=CC=CC=C4O3)CC

InChI

InChI=1S/C21H27N3O3/c1-3-5-10-20(4-2)13-25-21(26-14-20,12-19-22-15-23-24-19)18-11-16-8-6-7-9-17(16)27-18/h6-9,11,15H,3-5,10,12-14H2,1-2H3,(H,22,23,24)