3-[(4-bromanylisoquinolin-1-yl)methyl]-2-methyl-benzimidazole-5-carboxylic acid

Systemtic Name: 3-[(4-bromanylisoquinolin-1-yl)methyl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 3-[(4-bromo-1-isoquinolyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 3-[(4-bromo-1-isoquinolinyl)methyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 3-[(4-bromoisoquinolin-1-yl)methyl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 3-[(4-bromo-1-isoquinolyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid Formula: C19H14BrN3O2 MolecularWeight: 396.23736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=NC=C(C4=CC=CC=C43)Br)C=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1CC3=NC=C(C4=CC=CC=C43)Br)C=C(C=C2)C(=O)O

InChI

InChI=1S/C19H14BrN3O2/c1-11-22-16-7-6-12(19(24)25)8-18(16)23(11)10-17-14-5-3-2-4-13(14)15(20)9-21-17/h2-9H,10H2,1H3,(H,24,25)