N-[3-(2-pyridin-2-ylethynyl)phenyl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-3H-benzimidazole-5-carboxamide Formula: C21H14N4O MolecularWeight: 338.36206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C21H14N4O/c26-21(16-8-10-19-20(13-16)24-14-23-19)25-18-6-3-4-15(12-18)7-9-17-5-1-2-11-22-17/h1-6,8,10-14H,(H,23,24)(H,25,26)