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

Systemtic Name: 1-[3-(2-methoxyethoxy)-5-(4-methylphenyl)-1,2,4-triazol-1-yl]heptan-1-one Openeye Name: 1-[3-(2-methoxyethoxy)-5-(p-tolyl)-1,2,4-triazol-1-yl]heptan-1-one CAS Name: 1-[3-(2-methoxyethoxy)-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-1-heptanone IUPAC Name: 1-[3-(2-methoxyethoxy)-5-(4-methylphenyl)-1,2,4-triazol-1-yl]heptan-1-one Traditional Name: 1-[3-(2-methoxyethoxy)-5-(p-tolyl)-1,2,4-triazol-1-yl]heptan-1-one Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1C(=NC(=N1)OCCOC)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCC(=O)N1C(=NC(=N1)OCCOC)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H27N3O3/c1-4-5-6-7-8-17(23)22-18(16-11-9-15(2)10-12-16)20-19(21-22)25-14-13-24-3/h9-12H,4-8,13-14H2,1-3H3