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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)C)CC3=NC=C(C4=CC=CC=C43)Br

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)C)CC3=NC=C(C4=CC=CC=C43)Br

InChI

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