6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]benzimidazol-1-yl]pyridine-3-carbonitrile trihydrochloride

Systemtic Name: 6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]benzimidazol-1-yl]pyridine-3-carbonitrile trihydrochloride Openeye Name: 6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]benzimidazol-1-yl]pyridine-3-carbonitrile trihydrochloride CAS Name: 6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-benzimidazolyl]-3-pyridinecarbonitrile trihydrochloride IUPAC Name: 6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]benzimidazol-1-yl]pyridine-3-carbonitrile trihydrochloride Traditional Name: 6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]benzimidazol-1-yl]nicotinonitrile trihydrochloride Formula: C22H16Cl3FN6 MolecularWeight: 489.760043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=NN2)C3=CC4=C(C=C3)N=CN4C5=NC=C(C=C5)C#N)F.Cl.Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=NN2)C3=CC4=C(C=C3)N=CN4C5=NC=C(C=C5)C#N)F.Cl.Cl.Cl

InChI

InChI=1S/C22H13FN6.3ClH/c23-17-5-2-15(3-6-17)22-18(12-27-28-22)16-4-7-19-20(9-16)29(13-26-19)21-8-1-14(10-24)11-25-21;;;/h1-9,11-13H,(H,27,28);3*1H