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

Systemtic Name: 1-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]decan-1-one Openeye Name: 1-[5-(4-tert-butylphenyl)-3-isobutoxy-1,2,4-triazol-1-yl]decan-1-one CAS Name: 1-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-1-decanone IUPAC Name: 1-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]decan-1-one Traditional Name: 1-[5-(4-tert-butylphenyl)-3-isobutoxy-1,2,4-triazol-1-yl]decan-1-one Formula: C26H41N3O2 MolecularWeight: 427.62264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H41N3O2/c1-7-8-9-10-11-12-13-14-23(30)29-24(27-25(28-29)31-19-20(2)3)21-15-17-22(18-16-21)26(4,5)6/h15-18,20H,7-14,19H2,1-6H3