methyl 2-[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxylate

Systemtic Name: methyl 2-[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxylate Openeye Name: methyl 2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxylate CAS Name: 2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxylate Traditional Name: 2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole-4-carboxylic acid methyl ester Formula: C22H16N6O2 MolecularWeight: 396.40144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5

InChI

InChI=1S/C22H16N6O2/c1-30-22(29)16-8-5-9-18-19(16)24-20(23-18)14-10-11-15(13-6-3-2-4-7-13)17(12-14)21-25-27-28-26-21/h2-12H,1H3,(H,23,24)(H,25,26,27,28)