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

Systemtic Name: 1-[5-(3-chlorophenyl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[5-(3-chlorophenyl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[5-(3-chlorophenyl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]-2-ethyl-1-hexanone IUPAC Name: 1-[5-(3-chlorophenyl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[5-(3-chlorophenyl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Formula: C20H28ClN3O3 MolecularWeight: 393.90762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O3/c1-4-7-9-15(5-2)19(25)24-18(16-10-8-11-17(21)14-16)22-20(23-24)27-13-12-26-6-3/h8,10-11,14-15H,4-7,9,12-13H2,1-3H3