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

Systemtic Name: 4-methyl-3-(2-pyrimidin-5-ylethynyl)-N-[4-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]-3-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-methyl-3-(2-pyrimidin-5-ylethynyl)-N-[4-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]-3-(trifluoromethyl)phenyl]benzamide CAS Name: 4-methyl-3-[2-(5-pyrimidinyl)ethynyl]-N-[4-[4-(1-pyrrolidinylmethyl)-1-imidazolyl]-3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-methyl-3-(2-pyrimidin-5-ylethynyl)-N-[4-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]-3-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-methyl-3-[2-(5-pyrimidyl)ethynyl]-N-[4-[4-(pyrrolidinomethyl)imidazol-1-yl]-3-(trifluoromethyl)phenyl]benzamide Formula: C29H25F3N6O MolecularWeight: 530.54361

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)N3C=C(N=C3)CN4CCCC4)C(F)(F)F)C#CC5=CN=CN=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3C=C(N=C3)CN4CCCC4)C(F)(F)F)C#CC5=CN=CN=C5

InChI

InChI=1S/C29H25F3N6O/c1-20-4-6-23(12-22(20)7-5-21-14-33-18-34-15-21)28(39)36-24-8-9-27(26(13-24)29(30,31)32)38-17-25(35-19-38)16-37-10-2-3-11-37/h4,6,8-9,12-15,17-19H,2-3,10-11,16H2,1H3,(H,36,39)