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

Systemtic Name: 2-[3-(2-azanylethylamino)-1-phenyl-propoxy]-4-chloranyl-5-fluoranyl-benzenecarbonitrile dihydrochloride Openeye Name: 2-[3-(2-aminoethylamino)-1-phenyl-propoxy]-4-chloro-5-fluoro-benzonitrile dihydrochloride CAS Name: 2-[3-(2-aminoethylamino)-1-phenylpropoxy]-4-chloro-5-fluorobenzonitrile dihydrochloride IUPAC Name: 2-[3-(2-aminoethylamino)-1-phenylpropoxy]-4-chloro-5-fluorobenzonitrile dihydrochloride Traditional Name: 2-[3-(2-aminoethylamino)-1-phenyl-propoxy]-4-chloro-5-fluoro-benzonitrile dihydrochloride Formula: C18H21Cl3FN3O MolecularWeight: 420.736243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClFN3O.2ClH/c19-15-11-18(14(12-22)10-16(15)20)24-17(6-8-23-9-7-21)13-4-2-1-3-5-13;;/h1-5,10-11,17,23H,6-9,21H2;2*1H