ethyl 3-(2,1,3-benzoxadiazol-5-ylcarbonylamino)-4-(2-pyridin-2-ylbenzimidazol-1-yl)benzoate

Systemtic Name: ethyl 3-(2,1,3-benzoxadiazol-5-ylcarbonylamino)-4-(2-pyridin-2-ylbenzimidazol-1-yl)benzoate Openeye Name: ethyl 3-(2,1,3-benzoxadiazole-5-carbonylamino)-4-[2-(2-pyridyl)benzimidazol-1-yl]benzoate CAS Name: 3-[[2,1,3-benzoxadiazol-5-yl(oxo)methyl]amino]-4-[2-(2-pyridinyl)-1-benzimidazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-(2,1,3-benzoxadiazole-5-carbonylamino)-4-(2-pyridin-2-ylbenzimidazol-1-yl)benzoate Traditional Name: 3-(benzofurazan-5-carbonylamino)-4-[2-(2-pyridyl)benzimidazol-1-yl]benzoic acid ethyl ester Formula: C28H20N6O4 MolecularWeight: 504.4962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=CC=N4)NC(=O)C5=CC6=NON=C6C=C5

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=CC=N4)NC(=O)C5=CC6=NON=C6C=C5

InChI

InChI=1S/C28H20N6O4/c1-2-37-28(36)18-11-13-25(23(16-18)31-27(35)17-10-12-19-22(15-17)33-38-32-19)34-24-9-4-3-7-20(24)30-26(34)21-8-5-6-14-29-21/h3-16H,2H2,1H3,(H,31,35)