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

Systemtic Name: ethyl 3-[(4-chloranylisoquinolin-3-yl)methyl]-2-methyl-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[(4-chloro-3-isoquinolyl)methyl]-2-methyl-benzimidazole-5-carboxylate CAS Name: 3-[(4-chloro-3-isoquinolinyl)methyl]-2-methyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-chloroisoquinolin-3-yl)methyl]-2-methylbenzimidazole-5-carboxylate Traditional Name: 3-[(4-chloro-3-isoquinolyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C21H18ClN3O2 MolecularWeight: 379.83952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C4=CC=CC=C4C=N3)Cl)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C4=CC=CC=C4C=N3)Cl)C

InChI

InChI=1S/C21H18ClN3O2/c1-3-27-21(26)14-8-9-17-19(10-14)25(13(2)24-17)12-18-20(22)16-7-5-4-6-15(16)11-23-18/h4-11H,3,12H2,1-2H3