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

Systemtic Name: 1-[3-(3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[3-(3-methoxyphenyl)-5-(o-tolyl)-1,2,4-triazol-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[3-(3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[3-(3-methoxyphenyl)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[3-(3-methoxyphenyl)-5-(o-tolyl)-1,2,4-triazol-1-yl]-2,2-dimethyl-propan-1-one Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=NN2C(=O)C(C)(C)C)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=NN2C(=O)C(C)(C)C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H23N3O2/c1-14-9-6-7-12-17(14)19-22-18(15-10-8-11-16(13-15)26-5)23-24(19)20(25)21(2,3)4/h6-13H,1-5H3