2-isoquinolin-3-yl-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-isoquinolin-3-yl-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide Openeye Name: N-isobutyl-2-(3-isoquinolyl)-1H-benzimidazole-4-carboxamide CAS Name: 2-(3-isoquinolinyl)-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide IUPAC Name: 2-isoquinolin-3-yl-N-(2-methylpropyl)-1H-benzimidazole-4-carboxamide Traditional Name: N-isobutyl-2-(3-isoquinolyl)-1H-benzimidazole-4-carboxamide Formula: C21H20N4O MolecularWeight: 344.4097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CC(C)CNC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C21H20N4O/c1-13(2)11-23-21(26)16-8-5-9-17-19(16)25-20(24-17)18-10-14-6-3-4-7-15(14)12-22-18/h3-10,12-13H,11H2,1-2H3,(H,23,26)(H,24,25)