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

Systemtic Name: 4-chloranyl-5-fluoranyl-2-[3-(2-morpholin-4-ylethylamino)-1-phenyl-propoxy]benzenecarbonitrile dihydrochloride Openeye Name: 4-chloro-5-fluoro-2-[3-(2-morpholinoethylamino)-1-phenyl-propoxy]benzonitrile dihydrochloride CAS Name: 4-chloro-5-fluoro-2-[3-[2-(4-morpholinyl)ethylamino]-1-phenylpropoxy]benzonitrile dihydrochloride IUPAC Name: 4-chloro-5-fluoro-2-[3-(2-morpholin-4-ylethylamino)-1-phenylpropoxy]benzonitrile dihydrochloride Traditional Name: 4-chloro-5-fluoro-2-[3-(2-morpholinoethylamino)-1-phenyl-propoxy]benzonitrile dihydrochloride Formula: C22H27Cl3FN3O2 MolecularWeight: 490.826083

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNCCC(C2=CC=CC=C2)OC3=CC(=C(C=C3C#N)F)Cl.Cl.Cl

Isomeric SMILES

C1COCCN1CCNCCC(C2=CC=CC=C2)OC3=CC(=C(C=C3C#N)F)Cl.Cl.Cl

InChI

InChI=1S/C22H25ClFN3O2.2ClH/c23-19-15-22(18(16-25)14-20(19)24)29-21(17-4-2-1-3-5-17)6-7-26-8-9-27-10-12-28-13-11-27;;/h1-5,14-15,21,26H,6-13H2;2*1H