4-[2-[4-(diphenylmethyl)piperazin-1-yl]ethylamino]-2,6-dimethyl-pyridine-3-carbonitrile trihydrochloride

Systemtic Name: 4-[2-[4-(diphenylmethyl)piperazin-1-yl]ethylamino]-2,6-dimethyl-pyridine-3-carbonitrile trihydrochloride Openeye Name: 4-[2-(4-benzhydrylpiperazin-1-yl)ethylamino]-2,6-dimethyl-pyridine-3-carbonitrile trihydrochloride CAS Name: 4-[2-[4-(diphenylmethyl)-1-piperazinyl]ethylamino]-2,6-dimethyl-3-pyridinecarbonitrile trihydrochloride IUPAC Name: 4-[2-(4-benzhydrylpiperazin-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile trihydrochloride Traditional Name: 4-[2-(4-benzhydrylpiperazino)ethylamino]-2,6-dimethyl-nicotinonitrile trihydrochloride Formula: C27H34Cl3N5 MolecularWeight: 534.95136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)NCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C#N)C.Cl.Cl.Cl

Isomeric SMILES

CC1=NC(=C(C(=C1)NCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C#N)C.Cl.Cl.Cl

InChI

InChI=1S/C27H31N5.3ClH/c1-21-19-26(25(20-28)22(2)30-21)29-13-14-31-15-17-32(18-16-31)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24;;;/h3-12,19,27H,13-18H2,1-2H3,(H,29,30);3*1H