2-[1-(dimethylamino)-3-methoxy-isoquinolin-4-yl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[1-(dimethylamino)-3-methoxy-isoquinolin-4-yl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[1-(dimethylamino)-3-methoxy-4-isoquinolyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[1-(dimethylamino)-3-methoxy-4-isoquinolinyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[1-(dimethylamino)-3-methoxyisoquinolin-4-yl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[1-(dimethylamino)-3-methoxy-4-isoquinolyl]-1H-benzimidazole-4-carboxamide Formula: C20H19N5O2 MolecularWeight: 361.39716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=C(C2=CC=CC=C21)C3=NC4=C(C=CC=C4N3)C(=O)N)OC

Isomeric SMILES

CN(C)C1=NC(=C(C2=CC=CC=C21)C3=NC4=C(C=CC=C4N3)C(=O)N)OC

InChI

InChI=1S/C20H19N5O2/c1-25(2)19-12-8-5-4-7-11(12)15(20(24-19)27-3)18-22-14-10-6-9-13(17(21)26)16(14)23-18/h4-10H,1-3H3,(H2,21,26)(H,22,23)