(2-carbazol-9-yl-2-oxidanylidene-ethyl) 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: (2-carbazol-9-yl-2-oxidanylidene-ethyl) 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: (2-carbazol-9-yl-2-oxo-ethyl) 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [2-(9-carbazolyl)-2-oxoethyl] ester IUPAC Name: (2-carbazol-9-yl-2-oxoethyl) 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid (2-carbazol-9-yl-2-keto-ethyl) ester Formula: C27H18N4O3 MolecularWeight: 446.45682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3N2C(=O)COC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CN=CC=C6

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N2C(=O)COC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CN=CC=C6

InChI

InChI=1S/C27H18N4O3/c32-25(31-23-9-3-1-7-19(23)20-8-2-4-10-24(20)31)16-34-27(33)17-11-12-21-22(14-17)30-26(29-21)18-6-5-13-28-15-18/h1-15H,16H2,(H,29,30)