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

Systemtic Name: methyl 2-butyl-3-[[3-chloranyl-4-(2-cyanopyrrol-1-yl)phenyl]methyl]benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-3-[[3-chloro-4-(2-cyanopyrrol-1-yl)phenyl]methyl]benzimidazole-4-carboxylate CAS Name: 2-butyl-3-[[3-chloro-4-(2-cyano-1-pyrrolyl)phenyl]methyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[[3-chloro-4-(2-cyanopyrrol-1-yl)phenyl]methyl]benzimidazole-4-carboxylate Traditional Name: 2-butyl-3-[3-chloro-4-(2-cyanopyrrol-1-yl)benzyl]benzimidazole-4-carboxylic acid methyl ester Formula: C25H23ClN4O2 MolecularWeight: 446.92872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=C2N1CC3=CC(=C(C=C3)N4C=CC=C4C#N)Cl)C(=O)OC

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2N1CC3=CC(=C(C=C3)N4C=CC=C4C#N)Cl)C(=O)OC

InChI

InChI=1S/C25H23ClN4O2/c1-3-4-10-23-28-21-9-5-8-19(25(31)32-2)24(21)30(23)16-17-11-12-22(20(26)14-17)29-13-6-7-18(29)15-27/h5-9,11-14H,3-4,10,16H2,1-2H3