3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[2-(2-amino-5-pyrimidinyl)ethynyl]-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[2-piperidino-5-(trifluoromethyl)phenyl]benzamide Formula: C25H22F3N5O MolecularWeight: 465.47029

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=CC(=C3)C#CC4=CN=C(N=C4)N

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=CC(=C3)C#CC4=CN=C(N=C4)N

InChI

InChI=1S/C25H22F3N5O/c26-25(27,28)20-9-10-22(33-11-2-1-3-12-33)21(14-20)32-23(34)19-6-4-5-17(13-19)7-8-18-15-30-24(29)31-16-18/h4-6,9-10,13-16H,1-3,11-12H2,(H,32,34)(H2,29,30,31)