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

Systemtic Name: 1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]nonan-1-one Openeye Name: 1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]nonan-1-one CAS Name: 1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]-1-nonanone IUPAC Name: 1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]nonan-1-one Traditional Name: 1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]nonan-1-one Formula: C23H35N3O2 MolecularWeight: 385.5429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O2/c1-6-8-9-10-11-12-13-20(27)26-21(24-22(25-26)28-7-2)18-14-16-19(17-15-18)23(3,4)5/h14-17H,6-13H2,1-5H3