3,5,5-trimethyl-1-[5-(2-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]hexan-1-one

Systemtic Name: 3,5,5-trimethyl-1-[5-(2-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]hexan-1-one Openeye Name: 1-[3-isopropoxy-5-(o-tolyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 3,5,5-trimethyl-1-[5-(2-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-1-hexanone IUPAC Name: 3,5,5-trimethyl-1-[5-(2-methylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]hexan-1-one Traditional Name: 1-[3-isopropoxy-5-(o-tolyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one Formula: C21H31N3O2 MolecularWeight: 357.48974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=NN2C(=O)CC(C)CC(C)(C)C)OC(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=NN2C(=O)CC(C)CC(C)(C)C)OC(C)C

InChI

InChI=1S/C21H31N3O2/c1-14(2)26-20-22-19(17-11-9-8-10-16(17)4)24(23-20)18(25)12-15(3)13-21(5,6)7/h8-11,14-15H,12-13H2,1-7H3