methyl 2-butyl-3-[[4-(5-cyanopyrimidin-4-yl)phenyl]methyl]benzimidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-3-[[4-(5-cyanopyrimidin-4-yl)phenyl]methyl]benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-3-[[4-(5-cyanopyrimidin-4-yl)phenyl]methyl]benzimidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-(5-cyano-4-pyrimidinyl)phenyl]methyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[[4-(5-cyanopyrimidin-4-yl)phenyl]methyl]benzimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(5-cyanopyrimidin-4-yl)benzyl]benzimidazole-4-carboxylic acid methyl ester Formula: C25H23N5O2 MolecularWeight: 425.48242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N5O2/c1-3-4-8-22-29-21-7-5-6-20(25(31)32-2)24(21)30(22)15-17-9-11-18(12-10-17)23-19(13-26)14-27-16-28-23/h5-7,9-12,14,16H,3-4,8,15H2,1-2H3