4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6-methoxypyridin-3-yl)-2,5-dimethyl-piperazine-1-carboxamide

Systemtic Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6-methoxypyridin-3-yl)-2,5-dimethyl-piperazine-1-carboxamide Openeye Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6-methoxy-3-pyridyl)-2,5-dimethyl-piperazine-1-carboxamide CAS Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6-methoxypyridin-3-yl)-2,5-dimethylpiperazine-1-carboxamide Traditional Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6-methoxy-3-pyridyl)-2,5-dimethyl-piperazine-1-carboxamide Formula: C21H22F3N5O2 MolecularWeight: 433.42689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)NC2=CN=C(C=C2)OC)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CC1CN(C(CN1C(=O)NC2=CN=C(C=C2)OC)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C21H22F3N5O2/c1-13-12-29(20(30)27-16-5-7-19(31-3)26-10-16)14(2)11-28(13)17-6-4-15(9-25)18(8-17)21(22,23)24/h4-8,10,13-14H,11-12H2,1-3H3,(H,27,30)