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

Systemtic Name: 1-[3-butoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-[3-butoxy-5-(o-tolyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 1-[3-butoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-[3-butoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]-3,5,5-trimethylhexan-1-one Traditional Name: 1-[3-butoxy-5-(o-tolyl)-1,2,4-triazol-1-yl]-3,5,5-trimethyl-hexan-1-one Formula: C22H33N3O2 MolecularWeight: 371.51632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=CC=C2C)C(=O)CC(C)CC(C)(C)C

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=CC=C2C)C(=O)CC(C)CC(C)(C)C

InChI

InChI=1S/C22H33N3O2/c1-7-8-13-27-21-23-20(18-12-10-9-11-17(18)3)25(24-21)19(26)14-16(2)15-22(4,5)6/h9-12,16H,7-8,13-15H2,1-6H3