ethyl 3-[[4-(4-bromanyl-2-cyano-pyrrol-1-yl)phenyl]methyl]-2-butyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 3-[[4-(4-bromanyl-2-cyano-pyrrol-1-yl)phenyl]methyl]-2-butyl-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[[4-(4-bromo-2-cyano-pyrrol-1-yl)phenyl]methyl]-2-butyl-benzimidazole-5-carboxylate CAS Name: 3-[[4-(4-bromo-2-cyano-1-pyrrolyl)phenyl]methyl]-2-butyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-bromo-2-cyanopyrrol-1-yl)phenyl]methyl]-2-butylbenzimidazole-5-carboxylate Traditional Name: 3-[4-(4-bromo-2-cyano-pyrrol-1-yl)benzyl]-2-butyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C26H25BrN4O2 MolecularWeight: 505.4063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)N4C=C(C=C4C#N)Br)C=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)N4C=C(C=C4C#N)Br)C=C(C=C2)C(=O)OCC

InChI

InChI=1S/C26H25BrN4O2/c1-3-5-6-25-29-23-12-9-19(26(32)33-4-2)13-24(23)31(25)16-18-7-10-21(11-8-18)30-17-20(27)14-22(30)15-28/h7-14,17H,3-6,16H2,1-2H3