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

Systemtic Name: 5-[[2-(1-benzofuran-2-yl)-5-ethyl-5-propyl-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole Openeye Name: 5-[[2-(benzofuran-2-yl)-5-ethyl-5-propyl-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole CAS Name: 5-[[2-(2-benzofuranyl)-5-ethyl-5-propyl-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole IUPAC Name: 5-[[2-(1-benzofuran-2-yl)-5-ethyl-5-propyl-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole Traditional Name: 5-[[2-(benzofuran-2-yl)-5-ethyl-5-propyl-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(COC(OC1)(CC2=NC=NN2)C3=CC4=CC=CC=C4O3)CC

Isomeric SMILES

CCCC1(COC(OC1)(CC2=NC=NN2)C3=CC4=CC=CC=C4O3)CC

InChI

InChI=1S/C20H25N3O3/c1-3-9-19(4-2)12-24-20(25-13-19,11-18-21-14-22-23-18)17-10-15-7-5-6-8-16(15)26-17/h5-8,10,14H,3-4,9,11-13H2,1-2H3,(H,21,22,23)