1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[3-butoxy-5-(4-tert-butylphenyl)-1,2,4-triazol-1-yl]-2,2-dimethyl-propan-1-one Formula: C21H31N3O2 MolecularWeight: 357.48974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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