benzotriazol-1-yl 7-methoxy-2-[(4-pyridin-3-ylphenyl)methyl]-1H-benzimidazole-4-carboxylate

Systemtic Name: benzotriazol-1-yl 7-methoxy-2-[(4-pyridin-3-ylphenyl)methyl]-1H-benzimidazole-4-carboxylate Openeye Name: benzotriazol-1-yl 7-methoxy-2-[[4-(3-pyridyl)phenyl]methyl]-1H-benzimidazole-4-carboxylate CAS Name: 7-methoxy-2-[[4-(3-pyridinyl)phenyl]methyl]-1H-benzimidazole-4-carboxylic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 7-methoxy-2-[(4-pyridin-3-ylphenyl)methyl]-1H-benzimidazole-4-carboxylate Traditional Name: 7-methoxy-2-[4-(3-pyridyl)benzyl]-1H-benzimidazole-4-carboxylic acid benzotriazol-1-yl ester Formula: C27H20N6O3 MolecularWeight: 476.4861

Click to see the large picture

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)C6=CN=CC=C6

Isomeric SMILES

COC1=C2C(=C(C=C1)C(=O)ON3C4=CC=CC=C4N=N3)N=C(N2)CC5=CC=C(C=C5)C6=CN=CC=C6

InChI

InChI=1S/C27H20N6O3/c1-35-23-13-12-20(27(34)36-33-22-7-3-2-6-21(22)31-32-33)25-26(23)30-24(29-25)15-17-8-10-18(11-9-17)19-5-4-14-28-16-19/h2-14,16H,15H2,1H3,(H,29,30)