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

Systemtic Name: 4-chloranyl-5-fluoranyl-2-[3-(1H-imidazol-2-ylmethylamino)-1-phenyl-propoxy]benzenecarbonitrile dihydrochloride Openeye Name: 4-chloro-5-fluoro-2-[3-(1H-imidazol-2-ylmethylamino)-1-phenyl-propoxy]benzonitrile dihydrochloride CAS Name: 4-chloro-5-fluoro-2-[3-(1H-imidazol-2-ylmethylamino)-1-phenylpropoxy]benzonitrile dihydrochloride IUPAC Name: 4-chloro-5-fluoro-2-[3-(1H-imidazol-2-ylmethylamino)-1-phenylpropoxy]benzonitrile dihydrochloride Traditional Name: 4-chloro-5-fluoro-2-[3-(1H-imidazol-2-ylmethylamino)-1-phenyl-propoxy]benzonitrile dihydrochloride Formula: C20H20Cl3FN4O MolecularWeight: 457.756403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNCC2=NC=CN2)OC3=CC(=C(C=C3C#N)F)Cl.Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)C(CCNCC2=NC=CN2)OC3=CC(=C(C=C3C#N)F)Cl.Cl.Cl

InChI

InChI=1S/C20H18ClFN4O.2ClH/c21-16-11-19(15(12-23)10-17(16)22)27-18(14-4-2-1-3-5-14)6-7-24-13-20-25-8-9-26-20;;/h1-5,8-11,18,24H,6-7,13H2,(H,25,26);2*1H