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

Systemtic Name: 1-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]-4-pyridin-2-yl-piperazine dihydrochloride Openeye Name: 1-[2-(4-phenylisochroman-4-yl)ethyl]-4-(2-pyridyl)piperazine dihydrochloride CAS Name: 1-[2-(4-phenyl-3,4-dihydro-1H-2-benzopyran-4-yl)ethyl]-4-(2-pyridinyl)piperazine dihydrochloride IUPAC Name: 1-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]-4-pyridin-2-ylpiperazine dihydrochloride Traditional Name: 1-[2-(4-phenylisochroman-4-yl)ethyl]-4-(2-pyridyl)piperazine dihydrochloride Formula: C26H31Cl2N3O MolecularWeight: 472.44984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2(COCC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=N5.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC2(COCC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=CC=N5.Cl.Cl

InChI

InChI=1S/C26H29N3O.2ClH/c1-2-9-23(10-3-1)26(21-30-20-22-8-4-5-11-24(22)26)13-15-28-16-18-29(19-17-28)25-12-6-7-14-27-25;;/h1-12,14H,13,15-21H2;2*1H