N-(1-adamantyl)-2-(2-chloranyl-4-fluoranyl-phenoxy)-N-(2-cyanoethyl)ethanamide

Systemtic Name: N-(1-adamantyl)-2-(2-chloranyl-4-fluoranyl-phenoxy)-N-(2-cyanoethyl)ethanamide Openeye Name: N-(1-adamantyl)-2-(2-chloro-4-fluoro-phenoxy)-N-(2-cyanoethyl)acetamide CAS Name: N-(1-adamantyl)-2-(2-chloro-4-fluorophenoxy)-N-(2-cyanoethyl)acetamide IUPAC Name: N-(1-adamantyl)-2-(2-chloro-4-fluorophenoxy)-N-(2-cyanoethyl)acetamide Traditional Name: N-(1-adamantyl)-2-(2-chloro-4-fluoro-phenoxy)-N-(2-cyanoethyl)acetamide Formula: C21H24ClFN2O2 MolecularWeight: 390.878863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)COC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)COC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C21H24ClFN2O2/c22-18-9-17(23)2-3-19(18)27-13-20(26)25(5-1-4-24)21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,14-16H,1,5-8,10-13H2