methyl 2-chloranyl-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate

Systemtic Name: methyl 2-chloranyl-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate Openeye Name: methyl 2-chloro-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate CAS Name: 2-chloro-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-chloro-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate Traditional Name: 2-chloro-3-[4-(2-cyanophenyl)benzyl]benzimidazole-4-carboxylic acid methyl ester Formula: C23H16ClN3O2 MolecularWeight: 401.84504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N)Cl

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N)Cl

InChI

InChI=1S/C23H16ClN3O2/c1-29-22(28)19-7-4-8-20-21(19)27(23(24)26-20)14-15-9-11-16(12-10-15)18-6-3-2-5-17(18)13-25/h2-12H,14H2,1H3