3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

Systemtic Name: 3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide Openeye Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide CAS Name: 3-[2-(2-amino-5-pyrimidinyl)ethynyl]-N-[3-(trifluoromethyl)phenyl]-1-indolecarboxamide IUPAC Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide Traditional Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide Formula: C22H14F3N5O MolecularWeight: 421.37467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2C(=O)NC3=CC=CC(=C3)C(F)(F)F)C#CC4=CN=C(N=C4)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2C(=O)NC3=CC=CC(=C3)C(F)(F)F)C#CC4=CN=C(N=C4)N

InChI

InChI=1S/C22H14F3N5O/c23-22(24,25)16-4-3-5-17(10-16)29-21(31)30-13-15(18-6-1-2-7-19(18)30)9-8-14-11-27-20(26)28-12-14/h1-7,10-13H,(H,29,31)(H2,26,27,28)