1-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one

Systemtic Name: 1-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[3-(2-ethoxyethoxy)-5-(p-tolyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-ethyl-1-hexanone IUPAC Name: 1-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[3-(2-ethoxyethoxy)-5-(p-tolyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3/c1-5-8-9-17(6-2)20(25)24-19(18-12-10-16(4)11-13-18)22-21(23-24)27-15-14-26-7-3/h10-13,17H,5-9,14-15H2,1-4H3