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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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