5-[[2-(5,7-dimethyl-1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole

Systemtic Name: 5-[[2-(5,7-dimethyl-1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole Openeye Name: 5-[[2-(5,7-dimethylbenzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole CAS Name: 5-[[2-(5,7-dimethyl-2-benzofuranyl)-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole IUPAC Name: 5-[[2-(5,7-dimethyl-1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole Traditional Name: 5-[[2-(5,7-dimethylbenzofuran-2-yl)-1,3-dioxan-2-yl]methyl]-1H-1,2,4-triazole Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(O2)C3(OCCCO3)CC4=NC=NN4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(O2)C3(OCCCO3)CC4=NC=NN4)C

InChI

InChI=1S/C17H19N3O3/c1-11-6-12(2)16-13(7-11)8-14(23-16)17(21-4-3-5-22-17)9-15-18-10-19-20-15/h6-8,10H,3-5,9H2,1-2H3,(H,18,19,20)