N-[4-(imidazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyrimidin-5-ylethynyl)benzamide

Systemtic Name: N-[4-(imidazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyrimidin-5-ylethynyl)benzamide Openeye Name: N-[4-(imidazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyrimidin-5-ylethynyl)benzamide CAS Name: N-[4-(1-imidazolylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(5-pyrimidinyl)ethynyl]benzamide IUPAC Name: N-[4-(imidazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyrimidin-5-ylethynyl)benzamide Traditional Name: N-[4-(imidazol-1-ylmethyl)-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(5-pyrimidyl)ethynyl]benzamide Formula: C25H18F3N5O MolecularWeight: 461.43853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3C=CN=C3)C(F)(F)F)C#CC4=CN=CN=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3C=CN=C3)C(F)(F)F)C#CC4=CN=CN=C4

InChI

InChI=1S/C25H18F3N5O/c1-17-2-4-20(10-19(17)5-3-18-12-30-15-31-13-18)24(34)32-22-7-6-21(14-33-9-8-29-16-33)23(11-22)25(26,27)28/h2,4,6-13,15-16H,14H2,1H3,(H,32,34)