2-ethyl-1-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]hexan-1-one

Systemtic Name: 2-ethyl-1-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]hexan-1-one Openeye Name: 2-ethyl-1-[3-isobutoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]hexan-1-one CAS Name: 2-ethyl-1-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-1-hexanone IUPAC Name: 2-ethyl-1-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]hexan-1-one Traditional Name: 2-ethyl-1-[3-isobutoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]hexan-1-one Formula: C21H31N3O2 MolecularWeight: 357.48974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1C(=NC(=N1)OCC(C)C)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC(CC)C(=O)N1C(=NC(=N1)OCC(C)C)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H31N3O2/c1-6-8-9-17(7-2)20(25)24-19(18-12-10-16(5)11-13-18)22-21(23-24)26-14-15(3)4/h10-13,15,17H,6-9,14H2,1-5H3