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

Systemtic Name: 4-chloranyl-2-[3-(2-dimethylaminoethylamino)-1-phenyl-propoxy]-5-fluoranyl-benzenecarbonitrile dihydrochloride Openeye Name: 4-chloro-2-[3-(2-dimethylaminoethylamino)-1-phenyl-propoxy]-5-fluoro-benzonitrile dihydrochloride CAS Name: 4-chloro-2-[3-(2-dimethylaminoethylamino)-1-phenylpropoxy]-5-fluorobenzonitrile dihydrochloride IUPAC Name: 4-chloro-2-[3-(2-dimethylaminoethylamino)-1-phenylpropoxy]-5-fluorobenzonitrile dihydrochloride Traditional Name: 4-chloro-2-[3-(2-dimethylaminoethylamino)-1-phenyl-propoxy]-5-fluoro-benzonitrile dihydrochloride Formula: C20H25Cl3FN3O MolecularWeight: 448.789403

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNCCC(C1=CC=CC=C1)OC2=CC(=C(C=C2C#N)F)Cl.Cl.Cl

Isomeric SMILES

CN(C)CCNCCC(C1=CC=CC=C1)OC2=CC(=C(C=C2C#N)F)Cl.Cl.Cl

InChI

InChI=1S/C20H23ClFN3O.2ClH/c1-25(2)11-10-24-9-8-19(15-6-4-3-5-7-15)26-20-13-17(21)18(22)12-16(20)14-23;;/h3-7,12-13,19,24H,8-11H2,1-2H3;2*1H