1-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]tetradecan-1-one

Systemtic Name: 1-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]tetradecan-1-one Openeye Name: 1-[3-(2-methoxyethoxy)-5-(o-tolyl)-1,2,4-triazol-1-yl]tetradecan-1-one CAS Name: 1-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]-1-tetradecanone IUPAC Name: 1-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]tetradecan-1-one Traditional Name: 1-[3-(2-methoxyethoxy)-5-(o-tolyl)-1,2,4-triazol-1-yl]tetradecan-1-one Formula: C26H41N3O3 MolecularWeight: 443.62204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)N1C(=NC(=N1)OCCOC)C2=CC=CC=C2C

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N1C(=NC(=N1)OCCOC)C2=CC=CC=C2C

InChI

InChI=1S/C26H41N3O3/c1-4-5-6-7-8-9-10-11-12-13-14-19-24(30)29-25(23-18-16-15-17-22(23)2)27-26(28-29)32-21-20-31-3/h15-18H,4-14,19-21H2,1-3H3