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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2C(CO1)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=N5.Cl.Cl

Isomeric SMILES

CCC1(C2=CC=CC=C2C(CO1)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=N5.Cl.Cl

InChI

InChI=1S/C26H29N3O.2ClH/c1-2-26(29-18-16-28(17-19-29)25-14-8-9-15-27-25)24-13-7-6-12-22(24)23(20-30-26)21-10-4-3-5-11-21;;/h3-15,23H,2,16-20H2,1H3;2*1H