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

Systemtic Name: 1-[2-(4-phenyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(phenylmethyl)piperazine dihydrochloride Openeye Name: 1-benzyl-4-[2-(4-phenylisochroman-1-yl)ethyl]piperazine dihydrochloride CAS Name: 1-[2-(4-phenyl-3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-4-(phenylmethyl)piperazine dihydrochloride IUPAC Name: 1-benzyl-4-[2-(4-phenyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazine dihydrochloride Traditional Name: 1-benzyl-4-[2-(4-phenylisochroman-1-yl)ethyl]piperazine dihydrochloride Formula: C28H34Cl2N2O MolecularWeight: 485.48836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2C3=CC=CC=C3C(CO2)C4=CC=CC=C4)CC5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC2C3=CC=CC=C3C(CO2)C4=CC=CC=C4)CC5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C28H32N2O.2ClH/c1-3-9-23(10-4-1)21-30-19-17-29(18-20-30)16-15-28-26-14-8-7-13-25(26)27(22-31-28)24-11-5-2-6-12-24;;/h1-14,27-28H,15-22H2;2*1H