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

Systemtic Name: 4-[2-[4-(diphenylmethyl)piperazin-1-yl]ethylimino]-2,6-dimethyl-1-oxidanyl-pyridine-3-carbonitrile trihydrochloride Openeye Name: 4-[2-(4-benzhydrylpiperazin-1-yl)ethylimino]-1-hydroxy-2,6-dimethyl-pyridine-3-carbonitrile trihydrochloride CAS Name: 4-[2-[4-(diphenylmethyl)-1-piperazinyl]ethylimino]-1-hydroxy-2,6-dimethyl-3-pyridinecarbonitrile trihydrochloride IUPAC Name: 4-[2-(4-benzhydrylpiperazin-1-yl)ethylimino]-1-hydroxy-2,6-dimethylpyridine-3-carbonitrile trihydrochloride Traditional Name: 4-[2-(4-benzhydrylpiperazino)ethylimino]-1-hydroxy-2,6-dimethyl-nicotinonitrile trihydrochloride Formula: C27H34Cl3N5O MolecularWeight: 550.95076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=C(N1O)C)C#N.Cl.Cl.Cl

Isomeric SMILES

CC1=CC(=NCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=C(N1O)C)C#N.Cl.Cl.Cl

InChI

InChI=1S/C27H31N5O.3ClH/c1-21-19-26(25(20-28)22(2)32(21)33)29-13-14-30-15-17-31(18-16-30)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24;;;/h3-12,19,27,33H,13-18H2,1-2H3;3*1H