3-[(E)-2-[4-chloranyl-3-(trifluoromethyl)phenyl]ethenyl]-2-[6-(2H-1,2,3,4-tetrazol-5-yl)hexyl]cyclopentan-1-one

Systemtic Name: 3-[(E)-2-[4-chloranyl-3-(trifluoromethyl)phenyl]ethenyl]-2-[6-(2H-1,2,3,4-tetrazol-5-yl)hexyl]cyclopentan-1-one Openeye Name: 3-[(E)-2-[4-chloro-3-(trifluoromethyl)phenyl]vinyl]-2-[6-(2H-tetrazol-5-yl)hexyl]cyclopentanone CAS Name: 3-[(E)-2-[4-chloro-3-(trifluoromethyl)phenyl]ethenyl]-2-[6-(2H-tetrazol-5-yl)hexyl]-1-cyclopentanone IUPAC Name: 3-[(E)-2-[4-chloro-3-(trifluoromethyl)phenyl]ethenyl]-2-[6-(2H-tetrazol-5-yl)hexyl]cyclopentan-1-one Traditional Name: 3-[(E)-2-[4-chloro-3-(trifluoromethyl)phenyl]vinyl]-2-[6-(2H-tetrazol-5-yl)hexyl]cyclopentanone Formula: C21H24ClF3N4O MolecularWeight: 440.88967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C1C=CC2=CC(=C(C=C2)Cl)C(F)(F)F)CCCCCCC3=NNN=N3

Isomeric SMILES

C1CC(=O)C(C1/C=C/C2=CC(=C(C=C2)Cl)C(F)(F)F)CCCCCCC3=NNN=N3

InChI

InChI=1S/C21H24ClF3N4O/c22-18-11-8-14(13-17(18)21(23,24)25)7-9-15-10-12-19(30)16(15)5-3-1-2-4-6-20-26-28-29-27-20/h7-9,11,13,15-16H,1-6,10,12H2,(H,26,27,28,29)/b9-7+