1-phenyl-4-[2-(4-phenyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine dihydrochloride

Systemtic Name: 1-phenyl-4-[2-(4-phenyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine dihydrochloride Openeye Name: 1-phenyl-4-[2-(4-phenylisochroman-1-yl)ethyl]piperazine dihydrochloride CAS Name: 1-phenyl-4-[2-(4-phenyl-3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]piperazine dihydrochloride IUPAC Name: 1-phenyl-4-[2-(4-phenyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine dihydrochloride Traditional Name: 1-phenyl-4-[2-(4-phenylisochroman-1-yl)ethyl]piperazine dihydrochloride Formula: C27H32Cl2N2O MolecularWeight: 471.46178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2C3=CC=CC=C3C(CO2)C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC2C3=CC=CC=C3C(CO2)C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C27H30N2O.2ClH/c1-3-9-22(10-4-1)26-21-30-27(25-14-8-7-13-24(25)26)15-16-28-17-19-29(20-18-28)23-11-5-2-6-12-23;;/h1-14,26-27H,15-21H2;2*1H