4-[2-(2,6-dimethylpiperazin-1-yl)-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile trihydrochloride

Systemtic Name: 4-[2-(2,6-dimethylpiperazin-1-yl)-2-(1H-imidazol-5-yl)ethyl]benzenecarbonitrile trihydrochloride Openeye Name: 4-[2-(2,6-dimethylpiperazin-1-yl)-2-(1H-imidazol-5-yl)ethyl]benzonitrile trihydrochloride CAS Name: 4-[2-(2,6-dimethyl-1-piperazinyl)-2-(1H-imidazol-5-yl)ethyl]benzonitrile trihydrochloride IUPAC Name: 4-[2-(2,6-dimethylpiperazin-1-yl)-2-(1H-imidazol-5-yl)ethyl]benzonitrile trihydrochloride Traditional Name: 4-[2-(2,6-dimethylpiperazino)-2-(1H-imidazol-5-yl)ethyl]benzonitrile trihydrochloride Formula: C18H26Cl3N5 MolecularWeight: 418.79154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCC(N1C(CC2=CC=C(C=C2)C#N)C3=CN=CN3)C.Cl.Cl.Cl

Isomeric SMILES

CC1CNCC(N1C(CC2=CC=C(C=C2)C#N)C3=CN=CN3)C.Cl.Cl.Cl

InChI

InChI=1S/C18H23N5.3ClH/c1-13-9-20-10-14(2)23(13)18(17-11-21-12-22-17)7-15-3-5-16(8-19)6-4-15;;;/h3-6,11-14,18,20H,7,9-10H2,1-2H3,(H,21,22);3*1H