methyl 3-[(4-bromanylisoquinolin-3-yl)methyl]-2-methyl-1H-indole-5-carboxylate

Systemtic Name: methyl 3-[(4-bromanylisoquinolin-3-yl)methyl]-2-methyl-1H-indole-5-carboxylate Openeye Name: methyl 3-[(4-bromo-3-isoquinolyl)methyl]-2-methyl-1H-indole-5-carboxylate CAS Name: 3-[(4-bromo-3-isoquinolinyl)methyl]-2-methyl-1H-indole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-bromoisoquinolin-3-yl)methyl]-2-methyl-1H-indole-5-carboxylate Traditional Name: 3-[(4-bromo-3-isoquinolyl)methyl]-2-methyl-1H-indole-5-carboxylic acid methyl ester Formula: C21H17BrN2O2 MolecularWeight: 409.27588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)C(=O)OC)CC3=C(C4=CC=CC=C4C=N3)Br

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)C(=O)OC)CC3=C(C4=CC=CC=C4C=N3)Br

InChI

InChI=1S/C21H17BrN2O2/c1-12-16(17-9-13(21(25)26-2)7-8-18(17)24-12)10-19-20(22)15-6-4-3-5-14(15)11-23-19/h3-9,11,24H,10H2,1-2H3