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

Systemtic Name: 4-chloranyl-5-fluoranyl-2-[3-[(5-methylpyrazin-2-yl)methylamino]-1-phenyl-propoxy]benzenecarbonitrile dihydrochloride Openeye Name: 4-chloro-5-fluoro-2-[3-[(5-methylpyrazin-2-yl)methylamino]-1-phenyl-propoxy]benzonitrile dihydrochloride CAS Name: 4-chloro-5-fluoro-2-[3-[(5-methyl-2-pyrazinyl)methylamino]-1-phenylpropoxy]benzonitrile dihydrochloride IUPAC Name: 4-chloro-5-fluoro-2-[3-[(5-methylpyrazin-2-yl)methylamino]-1-phenylpropoxy]benzonitrile dihydrochloride Traditional Name: 4-chloro-5-fluoro-2-[3-[(5-methylpyrazin-2-yl)methylamino]-1-phenyl-propoxy]benzonitrile dihydrochloride Formula: C22H22Cl3FN4O MolecularWeight: 483.793683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)CNCCC(C2=CC=CC=C2)OC3=CC(=C(C=C3C#N)F)Cl.Cl.Cl

Isomeric SMILES

CC1=CN=C(C=N1)CNCCC(C2=CC=CC=C2)OC3=CC(=C(C=C3C#N)F)Cl.Cl.Cl

InChI

InChI=1S/C22H20ClFN4O.2ClH/c1-15-12-28-18(14-27-15)13-26-8-7-21(16-5-3-2-4-6-16)29-22-10-19(23)20(24)9-17(22)11-25;;/h2-6,9-10,12,14,21,26H,7-8,13H2,1H3;2*1H