methyl 2-butyl-3-[[4-(2-cyanopyrrol-1-yl)phenyl]methyl]benzimidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-3-[[4-(2-cyanopyrrol-1-yl)phenyl]methyl]benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-3-[[4-(2-cyanopyrrol-1-yl)phenyl]methyl]benzimidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-(2-cyano-1-pyrrolyl)phenyl]methyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[[4-(2-cyanopyrrol-1-yl)phenyl]methyl]benzimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(2-cyanopyrrol-1-yl)benzyl]benzimidazole-4-carboxylic acid methyl ester Formula: C25H24N4O2 MolecularWeight: 412.48366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)N4C=CC=C4C#N)C(=O)OC

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)N4C=CC=C4C#N)C(=O)OC

InChI

InChI=1S/C25H24N4O2/c1-3-4-10-23-27-22-9-5-8-21(25(30)31-2)24(22)29(23)17-18-11-13-19(14-12-18)28-15-6-7-20(28)16-26/h5-9,11-15H,3-4,10,17H2,1-2H3