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

Systemtic Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-[(6-methoxypyridin-3-yl)methyl]-2,5-dimethyl-piperazine-1-carboxamide Openeye Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-[(6-methoxy-3-pyridyl)methyl]-2,5-dimethyl-piperazine-1-carboxamide CAS Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-[(6-methoxy-3-pyridinyl)methyl]-2,5-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-[(6-methoxypyridin-3-yl)methyl]-2,5-dimethylpiperazine-1-carboxamide Traditional Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-[(6-methoxy-3-pyridyl)methyl]-2,5-dimethyl-piperazine-1-carboxamide Formula: C22H24F3N5O2 MolecularWeight: 447.45347

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)NCC2=CN=C(C=C2)OC)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CC1CN(C(CN1C(=O)NCC2=CN=C(C=C2)OC)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C22H24F3N5O2/c1-14-13-30(21(31)28-11-16-4-7-20(32-3)27-10-16)15(2)12-29(14)18-6-5-17(9-26)19(8-18)22(23,24)25/h4-8,10,14-15H,11-13H2,1-3H3,(H,28,31)