2-(4-chlorophenyl)-3-methyl-4-(4-methylpiperazin-1-yl)-2-(6-methylpyridin-2-yl)butanenitrile dihydrochloride

Systemtic Name: 2-(4-chlorophenyl)-3-methyl-4-(4-methylpiperazin-1-yl)-2-(6-methylpyridin-2-yl)butanenitrile dihydrochloride Openeye Name: 2-(4-chlorophenyl)-3-methyl-4-(4-methylpiperazin-1-yl)-2-(6-methyl-2-pyridyl)butanenitrile dihydrochloride CAS Name: 2-(4-chlorophenyl)-3-methyl-4-(4-methyl-1-piperazinyl)-2-(6-methyl-2-pyridinyl)butanenitrile dihydrochloride IUPAC Name: 2-(4-chlorophenyl)-3-methyl-4-(4-methylpiperazin-1-yl)-2-(6-methylpyridin-2-yl)butanenitrile dihydrochloride Traditional Name: 2-(4-chlorophenyl)-3-methyl-4-(4-methylpiperazino)-2-(6-methyl-2-pyridyl)butyronitrile dihydrochloride Formula: C22H29Cl3N4 MolecularWeight: 455.85146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C(C#N)(C2=CC=C(C=C2)Cl)C(C)CN3CCN(CC3)C.Cl.Cl

Isomeric SMILES

CC1=NC(=CC=C1)C(C#N)(C2=CC=C(C=C2)Cl)C(C)CN3CCN(CC3)C.Cl.Cl

InChI

InChI=1S/C22H27ClN4.2ClH/c1-17(15-27-13-11-26(3)12-14-27)22(16-24,19-7-9-20(23)10-8-19)21-6-4-5-18(2)25-21;;/h4-10,17H,11-15H2,1-3H3;2*1H