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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)(CN2C=NC=N2)C3=C4C=CC=CC4=CO3)C

Isomeric SMILES

CC1(COC(OC1)(CN2C=NC=N2)C3=C4C=CC=CC4=CO3)C

InChI

InChI=1S/C17H19N3O3/c1-16(2)9-22-17(23-10-16,8-20-12-18-11-19-20)15-14-6-4-3-5-13(14)7-21-15/h3-7,11-12H,8-10H2,1-2H3