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

Systemtic Name: 1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)propan-1-one Openeye Name: 1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-(p-tolyl)-2-(1,2,4-triazol-1-yl)propan-1-one CAS Name: 1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)-1-propanone IUPAC Name: 1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-(4-methylphenyl)-2-(1,2,4-triazol-1-yl)propan-1-one Traditional Name: 1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-(p-tolyl)-2-(1,2,4-triazol-1-yl)propan-1-one Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CCC1OCC(CO1)(C)C(=O)C(CC2=CC=C(C=C2)C)N3C=NC=N3

Isomeric SMILES

CCC1OCC(CO1)(C)C(=O)C(CC2=CC=C(C=C2)C)N3C=NC=N3

InChI

InChI=1S/C19H25N3O3/c1-4-17-24-10-19(3,11-25-17)18(23)16(22-13-20-12-21-22)9-15-7-5-14(2)6-8-15/h5-8,12-13,16-17H,4,9-11H2,1-3H3