N-[4-[2-[4-(4-chloranyl-2-fluoranyl-phenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-cyano-ethanamide

Systemtic Name: N-[4-[2-[4-(4-chloranyl-2-fluoranyl-phenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-cyano-ethanamide Openeye Name: N-[4-[2-[4-(4-chloro-2-fluoro-phenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-cyano-acetamide CAS Name: N-[4-[2-[4-(4-chloro-2-fluorophenyl)-1-piperazinyl]ethyl]cyclohexyl]-2-cyanoacetamide IUPAC Name: N-[4-[2-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide Traditional Name: N-[4-[2-[4-(4-chloro-2-fluoro-phenyl)piperazino]ethyl]cyclohexyl]-2-cyano-acetamide Formula: C21H28ClFN4O MolecularWeight: 406.924623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCN2CCN(CC2)C3=C(C=C(C=C3)Cl)F)NC(=O)CC#N

Isomeric SMILES

C1CC(CCC1CCN2CCN(CC2)C3=C(C=C(C=C3)Cl)F)NC(=O)CC#N

InChI

InChI=1S/C21H28ClFN4O/c22-17-3-6-20(19(23)15-17)27-13-11-26(12-14-27)10-8-16-1-4-18(5-2-16)25-21(28)7-9-24/h3,6,15-16,18H,1-2,4-5,7-8,10-14H2,(H,25,28)