4-chloranyl-5-fluoranyl-2-[3-(2-imidazol-1-ylethylamino)-1-phenyl-propoxy]benzenecarbonitrile dihydrochloride

Systemtic Name: 4-chloranyl-5-fluoranyl-2-[3-(2-imidazol-1-ylethylamino)-1-phenyl-propoxy]benzenecarbonitrile dihydrochloride Openeye Name: 4-chloro-5-fluoro-2-[3-(2-imidazol-1-ylethylamino)-1-phenyl-propoxy]benzonitrile dihydrochloride CAS Name: 4-chloro-5-fluoro-2-[3-[2-(1-imidazolyl)ethylamino]-1-phenylpropoxy]benzonitrile dihydrochloride IUPAC Name: 4-chloro-5-fluoro-2-[3-(2-imidazol-1-ylethylamino)-1-phenylpropoxy]benzonitrile dihydrochloride Traditional Name: 4-chloro-5-fluoro-2-[3-(2-imidazol-1-ylethylamino)-1-phenyl-propoxy]benzonitrile dihydrochloride Formula: C21H22Cl3FN4O MolecularWeight: 471.782983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNCCN2C=CN=C2)OC3=CC(=C(C=C3C#N)F)Cl.Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)C(CCNCCN2C=CN=C2)OC3=CC(=C(C=C3C#N)F)Cl.Cl.Cl

InChI

InChI=1S/C21H20ClFN4O.2ClH/c22-18-13-21(17(14-24)12-19(18)23)28-20(16-4-2-1-3-5-16)6-7-25-8-10-27-11-9-26-15-27;;/h1-5,9,11-13,15,20,25H,6-8,10H2;2*1H