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

Systemtic Name: 1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-phenyl-2-(1,2,4-triazol-1-yl)propan-1-one Openeye Name: 1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-phenyl-2-(1,2,4-triazol-1-yl)propan-1-one CAS Name: 1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-phenyl-2-(1,2,4-triazol-1-yl)-1-propanone IUPAC Name: 1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-phenyl-2-(1,2,4-triazol-1-yl)propan-1-one Traditional Name: 1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-3-phenyl-2-(1,2,4-triazol-1-yl)propan-1-one Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3/c1-3-16-23-10-18(2,11-24-16)17(22)15(21-13-19-12-20-21)9-14-7-5-4-6-8-14/h4-8,12-13,15-16H,3,9-11H2,1-2H3