ethyl 3-[(4-bromanylisoquinolin-1-yl)methyl]-2-methyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 3-[(4-bromanylisoquinolin-1-yl)methyl]-2-methyl-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[(4-bromo-1-isoquinolyl)methyl]-2-methyl-benzimidazole-5-carboxylate CAS Name: 3-[(4-bromo-1-isoquinolinyl)methyl]-2-methyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromoisoquinolin-1-yl)methyl]-2-methylbenzimidazole-5-carboxylate Traditional Name: 3-[(4-bromo-1-isoquinolyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C21H18BrN3O2 MolecularWeight: 424.29052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N2CC3=NC=C(C4=CC=CC=C43)Br)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2CC3=NC=C(C4=CC=CC=C43)Br)C

InChI

InChI=1S/C21H18BrN3O2/c1-3-27-21(26)14-8-9-18-20(10-14)25(13(2)24-18)12-19-16-7-5-4-6-15(16)17(22)11-23-19/h4-11H,3,12H2,1-2H3