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

Systemtic Name: 3,3-dimethyl-1-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[3-isobutoxy-5-(o-tolyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 3,3-dimethyl-1-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[3-isobutoxy-5-(o-tolyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-1-one Formula: C19H27N3O2 MolecularWeight: 329.43658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O2/c1-13(2)12-24-18-20-17(15-10-8-7-9-14(15)3)22(21-18)16(23)11-19(4,5)6/h7-10,13H,11-12H2,1-6H3