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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O2/c1-7-10-11-16(8-2)20(26)25-19(23-21(24-25)27-9-3)17-12-14-18(15-13-17)22(4,5)6/h12-16H,7-11H2,1-6H3