1-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]dodecan-1-one

Systemtic Name: 1-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]dodecan-1-one Openeye Name: 1-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]dodecan-1-one CAS Name: 1-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-1-dodecanone IUPAC Name: 1-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]dodecan-1-one Traditional Name: 1-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]dodecan-1-one Formula: C26H41N3O3 MolecularWeight: 443.62204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N1C(=NC(=N1)OCCOCC)C2=CC=C(C=C2)CC

Isomeric SMILES

CCCCCCCCCCCC(=O)N1C(=NC(=N1)OCCOCC)C2=CC=C(C=C2)CC

InChI

InChI=1S/C26H41N3O3/c1-4-7-8-9-10-11-12-13-14-15-24(30)29-25(23-18-16-22(5-2)17-19-23)27-26(28-29)32-21-20-31-6-3/h16-19H,4-15,20-21H2,1-3H3