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

Systemtic Name: 1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]hexan-1-one Openeye Name: 1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]hexan-1-one CAS Name: 1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]-1-hexanone IUPAC Name: 1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]hexan-1-one Traditional Name: 1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]hexan-1-one Formula: C20H29N3O2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O2/c1-6-8-9-10-17(24)23-18(21-19(22-23)25-7-2)15-11-13-16(14-12-15)20(3,4)5/h11-14H,6-10H2,1-5H3