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

Systemtic Name: 3-(4-tert-butylphenyl)-1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-one Openeye Name: 3-(4-tert-butylphenyl)-1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-one CAS Name: 3-(4-tert-butylphenyl)-1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-1-propanone IUPAC Name: 3-(4-tert-butylphenyl)-1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-one Traditional Name: 3-(4-tert-butylphenyl)-1-(2-ethyl-5-methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-one Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3/c1-6-19-27-12-22(5,13-28-19)20(26)18(25-15-23-14-24-25)11-16-7-9-17(10-8-16)21(2,3)4/h7-10,14-15,18-19H,6,11-13H2,1-5H3