methyl 3-[[2-(2-aminophenyl)-3-bromanyl-1-benzofuran-5-yl]methyl]-2-ethyl-imidazo[4,5-b]pyridine-5-carboxylate

Systemtic Name: methyl 3-[[2-(2-aminophenyl)-3-bromanyl-1-benzofuran-5-yl]methyl]-2-ethyl-imidazo[4,5-b]pyridine-5-carboxylate Openeye Name: methyl 3-[[2-(2-aminophenyl)-3-bromo-benzofuran-5-yl]methyl]-2-ethyl-imidazo[4,5-b]pyridine-5-carboxylate CAS Name: 3-[[2-(2-aminophenyl)-3-bromo-5-benzofuranyl]methyl]-2-ethyl-5-imidazo[4,5-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(2-aminophenyl)-3-bromo-1-benzofuran-5-yl]methyl]-2-ethylimidazo[4,5-b]pyridine-5-carboxylate Traditional Name: 3-[[2-(2-aminophenyl)-3-bromo-benzofuran-5-yl]methyl]-2-ethyl-imidazo[4,5-b]pyridine-5-carboxylic acid methyl ester Formula: C25H21BrN4O3 MolecularWeight: 505.36324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC4=C(C=C3)OC(=C4Br)C5=CC=CC=C5N)N=C(C=C2)C(=O)OC

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC4=C(C=C3)OC(=C4Br)C5=CC=CC=C5N)N=C(C=C2)C(=O)OC

InChI

InChI=1S/C25H21BrN4O3/c1-3-21-28-18-9-10-19(25(31)32-2)29-24(18)30(21)13-14-8-11-20-16(12-14)22(26)23(33-20)15-6-4-5-7-17(15)27/h4-12H,3,13,27H2,1-2H3