1-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]heptan-1-one

Systemtic Name: 1-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]heptan-1-one Openeye Name: 1-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]heptan-1-one CAS Name: 1-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]-1-heptanone IUPAC Name: 1-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]heptan-1-one Traditional Name: 1-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]heptan-1-one Formula: C17H22ClN3O2 MolecularWeight: 335.82848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1C(=NC(=N1)OCC)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCCCC(=O)N1C(=NC(=N1)OCC)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H22ClN3O2/c1-3-5-6-7-11-15(22)21-16(19-17(20-21)23-4-2)13-9-8-10-14(18)12-13/h8-10,12H,3-7,11H2,1-2H3