methyl 2-butyl-3-[6-(2-cyanophenyl)pyridin-3-yl]-1-methyl-2H-benzimidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-3-[6-(2-cyanophenyl)pyridin-3-yl]-1-methyl-2H-benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-3-[6-(2-cyanophenyl)-3-pyridyl]-1-methyl-2H-benzimidazole-4-carboxylate CAS Name: 2-butyl-3-[6-(2-cyanophenyl)-3-pyridinyl]-1-methyl-2H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[6-(2-cyanophenyl)pyridin-3-yl]-1-methyl-2H-benzimidazole-4-carboxylate Traditional Name: 2-butyl-3-[6-(2-cyanophenyl)-3-pyridyl]-1-methyl-2H-benzimidazole-4-carboxylic acid methyl ester Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C2=CC=CC(=C2N1C3=CN=C(C=C3)C4=CC=CC=C4C#N)C(=O)OC)C

Isomeric SMILES

CCCCC1N(C2=CC=CC(=C2N1C3=CN=C(C=C3)C4=CC=CC=C4C#N)C(=O)OC)C

InChI

InChI=1S/C26H26N4O2/c1-4-5-13-24-29(2)23-12-8-11-21(26(31)32-3)25(23)30(24)19-14-15-22(28-17-19)20-10-7-6-9-18(20)16-27/h6-12,14-15,17,24H,4-5,13H2,1-3H3