N,N'-bis[(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]heptanediamide

Systemtic Name: N,N'-bis[(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]heptanediamide Openeye Name: N,N'-bis[(E)-(2-chloro-6-fluoro-phenyl)methyleneamino]heptanediamide CAS Name: N,N'-bis[(E)-(2-chloro-6-fluorophenyl)methylideneamino]heptanediamide IUPAC Name: N,N'-bis[(E)-(2-chloro-6-fluorophenyl)methylideneamino]heptanediamide Traditional Name: N,N'-bis[(E)-(2-chloro-6-fluoro-benzylidene)amino]pimelamide Formula: C21H20Cl2F2N4O2 MolecularWeight: 469.311906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C=NNC(=O)CCCCCC(=O)NN=CC2=C(C=CC=C2Cl)F)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)/C=N/NC(=O)CCCCCC(=O)N/N=C/C2=C(C=CC=C2Cl)F)F

InChI

InChI=1S/C21H20Cl2F2N4O2/c22-16-6-4-8-18(24)14(16)12-26-28-20(30)10-2-1-3-11-21(31)29-27-13-15-17(23)7-5-9-19(15)25/h4-9,12-13H,1-3,10-11H2,(H,28,30)(H,29,31)/b26-12+,27-13+