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

Systemtic Name: methyl 2-butyl-3-[3-chloranyl-4-(2-cyanopyrrol-1-yl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-3-[3-chloro-4-(2-cyanopyrrol-1-yl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylate CAS Name: 2-butyl-3-[3-chloro-4-(2-cyano-1-pyrrolyl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[3-chloro-4-(2-cyanopyrrol-1-yl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylate Traditional Name: 2-butyl-3-[3-chloro-4-(2-cyanopyrrol-1-yl)phenyl]-1-methyl-2H-benzimidazole-4-carboxylic acid methyl ester Formula: C25H25ClN4O2 MolecularWeight: 448.9446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C2=CC=CC(=C2N1C3=CC(=C(C=C3)N4C=CC=C4C#N)Cl)C(=O)OC)C

Isomeric SMILES

CCCCC1N(C2=CC=CC(=C2N1C3=CC(=C(C=C3)N4C=CC=C4C#N)Cl)C(=O)OC)C

InChI

InChI=1S/C25H25ClN4O2/c1-4-5-11-23-28(2)22-10-6-9-19(25(31)32-3)24(22)30(23)17-12-13-21(20(26)15-17)29-14-7-8-18(29)16-27/h6-10,12-15,23H,4-5,11H2,1-3H3