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

Systemtic Name: 1-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1,2,4-triazol-1-yl]heptan-1-one Openeye Name: 1-[3-(2-ethoxyethoxy)-5-(p-tolyl)-1,2,4-triazol-1-yl]heptan-1-one CAS Name: 1-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-1-heptanone IUPAC Name: 1-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1,2,4-triazol-1-yl]heptan-1-one Traditional Name: 1-[3-(2-ethoxyethoxy)-5-(p-tolyl)-1,2,4-triazol-1-yl]heptan-1-one Formula: C20H29N3O3 MolecularWeight: 359.46256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3/c1-4-6-7-8-9-18(24)23-19(17-12-10-16(3)11-13-17)21-20(22-23)26-15-14-25-5-2/h10-13H,4-9,14-15H2,1-3H3