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

Systemtic Name: methyl 2-butyl-3-[4-(3-cyanopyrrol-1-yl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-3-[4-(3-cyanopyrrol-1-yl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylate CAS Name: 2-butyl-3-[4-(3-cyano-1-pyrrolyl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[4-(3-cyanopyrrol-1-yl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(3-cyanopyrrol-1-yl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylic acid methyl ester Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C2=CC=CC(=C2N1C3=CC=C(C=C3)N4C=CC(=C4)C#N)C(=O)OC)C

Isomeric SMILES

CCCCC1N(C2=CC=CC(=C2N1C3=CC=C(C=C3)N4C=CC(=C4)C#N)C(=O)OC)C

InChI

InChI=1S/C25H26N4O2/c1-4-5-9-23-27(2)22-8-6-7-21(25(30)31-3)24(22)29(23)20-12-10-19(11-13-20)28-15-14-18(16-26)17-28/h6-8,10-15,17,23H,4-5,9H2,1-3H3