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

Systemtic Name: methyl 2-butyl-3-[[4-(3-cyanopyrrol-1-yl)phenyl]methyl]benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-3-[[4-(3-cyanopyrrol-1-yl)phenyl]methyl]benzimidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-(3-cyano-1-pyrrolyl)phenyl]methyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[[4-(3-cyanopyrrol-1-yl)phenyl]methyl]benzimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(3-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(=C4)C#N)C(=O)OC

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)N4C=CC(=C4)C#N)C(=O)OC

InChI

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