1-phenyl-4-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]piperazine dihydrochloride

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2(COCC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC2(COCC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl

InChI

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