3-(4-ethoxyphenyl)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-one

Systemtic Name: 3-(4-ethoxyphenyl)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-one Openeye Name: 3-(4-ethoxyphenyl)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-one CAS Name: 3-(4-ethoxyphenyl)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-1-propanone IUPAC Name: 3-(4-ethoxyphenyl)-1-(5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-one Traditional Name: 1-(5-methyl-1,3-dioxan-5-yl)-3-p-phenetyl-2-(1,2,4-triazol-1-yl)propan-1-one Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)C2(COCOC2)C)N3C=NC=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)C2(COCOC2)C)N3C=NC=N3

InChI

InChI=1S/C18H23N3O4/c1-3-25-15-6-4-14(5-7-15)8-16(21-12-19-11-20-21)17(22)18(2)9-23-13-24-10-18/h4-7,11-12,16H,3,8-10,13H2,1-2H3