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

Systemtic Name: 1-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]tetradecan-1-one Openeye Name: 1-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]tetradecan-1-one CAS Name: 1-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-1-tetradecanone IUPAC Name: 1-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]tetradecan-1-one Traditional Name: 1-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]tetradecan-1-one Formula: C28H45N3O3 MolecularWeight: 471.6752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H45N3O3/c1-4-7-8-9-10-11-12-13-14-15-16-17-26(32)31-27(25-20-18-24(5-2)19-21-25)29-28(30-31)34-23-22-33-6-3/h18-21H,4-17,22-23H2,1-3H3