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

Systemtic Name: 1-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]hexan-1-one Openeye Name: 1-[5-(4-tert-butylphenyl)-3-isobutoxy-1,2,4-triazol-1-yl]hexan-1-one CAS Name: 1-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-1-hexanone IUPAC Name: 1-[5-(4-tert-butylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]hexan-1-one Traditional Name: 1-[5-(4-tert-butylphenyl)-3-isobutoxy-1,2,4-triazol-1-yl]hexan-1-one Formula: C22H33N3O2 MolecularWeight: 371.51632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O2/c1-7-8-9-10-19(26)25-20(23-21(24-25)27-15-16(2)3)17-11-13-18(14-12-17)22(4,5)6/h11-14,16H,7-10,15H2,1-6H3