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

Systemtic Name: methyl 2-butyl-3-[[6-(2-cyanophenyl)pyridin-3-yl]methyl]benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-3-[[6-(2-cyanophenyl)-3-pyridyl]methyl]benzimidazole-4-carboxylate CAS Name: 2-butyl-3-[[6-(2-cyanophenyl)-3-pyridinyl]methyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[[6-(2-cyanophenyl)pyridin-3-yl]methyl]benzimidazole-4-carboxylate Traditional Name: 2-butyl-3-[[6-(2-cyanophenyl)-3-pyridyl]methyl]benzimidazole-4-carboxylic acid methyl ester Formula: C26H24N4O2 MolecularWeight: 424.49436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=C2N1CC3=CN=C(C=C3)C4=CC=CC=C4C#N)C(=O)OC

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2N1CC3=CN=C(C=C3)C4=CC=CC=C4C#N)C(=O)OC

InChI

InChI=1S/C26H24N4O2/c1-3-4-12-24-29-23-11-7-10-21(26(31)32-2)25(23)30(24)17-18-13-14-22(28-16-18)20-9-6-5-8-19(20)15-27/h5-11,13-14,16H,3-4,12,17H2,1-2H3