1-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]octan-1-one

Systemtic Name: 1-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]octan-1-one Openeye Name: 1-[5-(4-tert-butylphenyl)-3-isobutoxy-1,2,4-triazol-1-yl]octan-1-one CAS Name: 1-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-1-octanone IUPAC Name: 1-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]octan-1-one Traditional Name: 1-[5-(4-tert-butylphenyl)-3-isobutoxy-1,2,4-triazol-1-yl]octan-1-one Formula: C24H37N3O2 MolecularWeight: 399.56948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1C(=NC(=N1)OCC(C)C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCCCC(=O)N1C(=NC(=N1)OCC(C)C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H37N3O2/c1-7-8-9-10-11-12-21(28)27-22(25-23(26-27)29-17-18(2)3)19-13-15-20(16-14-19)24(4,5)6/h13-16,18H,7-12,17H2,1-6H3