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

Systemtic Name: 1-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]heptan-1-one Openeye Name: 1-[5-(4-tert-butylphenyl)-3-isobutoxy-1,2,4-triazol-1-yl]heptan-1-one CAS Name: 1-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-1-heptanone IUPAC Name: 1-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]heptan-1-one Traditional Name: 1-[5-(4-tert-butylphenyl)-3-isobutoxy-1,2,4-triazol-1-yl]heptan-1-one Formula: C23H35N3O2 MolecularWeight: 385.5429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O2/c1-7-8-9-10-11-20(27)26-21(24-22(25-26)28-16-17(2)3)18-12-14-19(15-13-18)23(4,5)6/h12-15,17H,7-11,16H2,1-6H3