4-[[6-(1-oxidanidylpyridin-1-ium-3-yl)oxy-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]benzenecarbonitrile

Systemtic Name: 4-[[6-(1-oxidanidylpyridin-1-ium-3-yl)oxy-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]benzenecarbonitrile Openeye Name: 4-[[6-(1-oxidopyridin-1-ium-3-yl)oxy-2-(2-pyridyl)-1H-benzimidazol-5-yl]oxy]benzonitrile CAS Name: 4-[[6-[(1-oxido-3-pyridin-1-iumyl)oxy]-2-(2-pyridinyl)-1H-benzimidazol-5-yl]oxy]benzonitrile IUPAC Name: 4-[[6-(1-oxidopyridin-1-ium-3-yl)oxy-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]benzonitrile Traditional Name: 4-[[6-(1-oxidopyridin-1-ium-3-yl)oxy-2-(2-pyridyl)-1H-benzimidazol-5-yl]oxy]benzonitrile Formula: C24H15N5O3 MolecularWeight: 421.4076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC3=CC(=C(C=C3N2)OC4=C[N+](=CC=C4)[O-])OC5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=NC(=C1)C2=NC3=CC(=C(C=C3N2)OC4=C[N+](=CC=C4)[O-])OC5=CC=C(C=C5)C#N

InChI

InChI=1S/C24H15N5O3/c25-14-16-6-8-17(9-7-16)31-22-12-20-21(28-24(27-20)19-5-1-2-10-26-19)13-23(22)32-18-4-3-11-29(30)15-18/h1-13,15H,(H,27,28)