4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-pyridin-2-yl-butanenitrile dihydrochloride

Systemtic Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-pyridin-2-yl-butanenitrile dihydrochloride Openeye Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-(2-pyridyl)butanenitrile dihydrochloride CAS Name: 4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-phenyl-2-(2-pyridinyl)butanenitrile dihydrochloride IUPAC Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-2-pyridin-2-ylbutanenitrile dihydrochloride Traditional Name: 4-[4-(2-methoxyphenyl)piperazino]-2-phenyl-2-(2-pyridyl)butyronitrile dihydrochloride Formula: C26H30Cl2N4O MolecularWeight: 485.4486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=N4.Cl.Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=N4.Cl.Cl

InChI

InChI=1S/C26H28N4O.2ClH/c1-31-24-12-6-5-11-23(24)30-19-17-29(18-20-30)16-14-26(21-27,22-9-3-2-4-10-22)25-13-7-8-15-28-25;;/h2-13,15H,14,16-20H2,1H3;2*1H