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

Systemtic Name: N-(2-acetamidopyrimidin-4-yl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-piperazine-1-carboxamide Openeye Name: N-(2-acetamidopyrimidin-4-yl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-piperazine-1-carboxamide CAS Name: N-(2-acetamido-4-pyrimidinyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1-piperazinecarboxamide IUPAC Name: N-(2-acetamidopyrimidin-4-yl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine-1-carboxamide Traditional Name: N-(2-acetamidopyrimidin-4-yl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-piperazine-1-carboxamide Formula: C21H22F3N7O2 MolecularWeight: 461.44029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22F3N7O2/c1-12-11-31(20(33)29-18-6-7-26-19(28-18)27-14(3)32)13(2)10-30(12)16-5-4-15(9-25)17(8-16)21(22,23)24/h4-8,12-13H,10-11H2,1-3H3,(H2,26,27,28,29,32,33)