benzotriazol-1-yl 2-[(4-cyanophenyl)methyl]-7-methoxy-1H-benzimidazole-4-carboxylate

Systemtic Name: benzotriazol-1-yl 2-[(4-cyanophenyl)methyl]-7-methoxy-1H-benzimidazole-4-carboxylate Openeye Name: benzotriazol-1-yl 2-[(4-cyanophenyl)methyl]-7-methoxy-1H-benzimidazole-4-carboxylate CAS Name: 2-[(4-cyanophenyl)methyl]-7-methoxy-1H-benzimidazole-4-carboxylic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 2-[(4-cyanophenyl)methyl]-7-methoxy-1H-benzimidazole-4-carboxylate Traditional Name: 2-(4-cyanobenzyl)-7-methoxy-1H-benzimidazole-4-carboxylic acid benzotriazol-1-yl ester Formula: C23H16N6O3 MolecularWeight: 424.41154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C(=O)ON3C4=CC=CC=C4N=N3)N=C(N2)CC5=CC=C(C=C5)C#N

Isomeric SMILES

COC1=C2C(=C(C=C1)C(=O)ON3C4=CC=CC=C4N=N3)N=C(N2)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C23H16N6O3/c1-31-19-11-10-16(23(30)32-29-18-5-3-2-4-17(18)27-28-29)21-22(19)26-20(25-21)12-14-6-8-15(13-24)9-7-14/h2-11H,12H2,1H3,(H,25,26)