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

Systemtic Name: 1-[5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-2-ethyl-1-hexanone IUPAC Name: 1-[5-(4-tert-butylphenyl)-3-propoxy-1,2,4-triazol-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[5-(4-tert-butylphenyl)-3-propoxy-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)OCCC)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

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

InChI

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