methyl 2-chloranyl-7-[[4-(2-cyanophenyl)phenyl]methyl]-3H-benzimidazole-4-carboxylate

Systemtic Name: methyl 2-chloranyl-7-[[4-(2-cyanophenyl)phenyl]methyl]-3H-benzimidazole-4-carboxylate Openeye Name: methyl 2-chloro-7-[[4-(2-cyanophenyl)phenyl]methyl]-3H-benzimidazole-4-carboxylate CAS Name: 2-chloro-7-[[4-(2-cyanophenyl)phenyl]methyl]-3H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-chloro-7-[[4-(2-cyanophenyl)phenyl]methyl]-3H-benzimidazole-4-carboxylate Traditional Name: 2-chloro-7-[4-(2-cyanophenyl)benzyl]-3H-benzimidazole-4-carboxylic acid methyl ester Formula: C23H16ClN3O2 MolecularWeight: 401.84504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=C(C=C1)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)N=C(N2)Cl

Isomeric SMILES

COC(=O)C1=C2C(=C(C=C1)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)N=C(N2)Cl

InChI

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