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

Systemtic Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-ethanoylpyridin-4-yl)-2,5-dimethyl-piperazine-1-carboxamide Openeye Name: N-(2-acetyl-4-pyridyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-piperazine-1-carboxamide CAS Name: N-(2-acetyl-4-pyridinyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1-piperazinecarboxamide IUPAC Name: N-(2-acetylpyridin-4-yl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine-1-carboxamide Traditional Name: N-(2-acetyl-4-pyridyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-piperazine-1-carboxamide Formula: C22H22F3N5O2 MolecularWeight: 445.43759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22F3N5O2/c1-13-12-30(21(32)28-17-6-7-27-20(8-17)15(3)31)14(2)11-29(13)18-5-4-16(10-26)19(9-18)22(23,24)25/h4-9,13-14H,11-12H2,1-3H3,(H,27,28,32)