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

Systemtic Name: 1-[5-(4-tert-butylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[5-(4-tert-butylphenyl)-3-isopropoxy-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[5-(4-tert-butylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-2-ethyl-1-hexanone IUPAC Name: 1-[5-(4-tert-butylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[5-(4-tert-butylphenyl)-3-isopropoxy-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Formula: C23H35N3O2 MolecularWeight: 385.5429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1C(=NC(=N1)OC(C)C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCC(CC)C(=O)N1C(=NC(=N1)OC(C)C)C2=CC=C(C=C2)C(C)(C)C

InChI

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