1-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-4-phenyl-3,4-dihydroisoquinoline dihydrochloride

Systemtic Name: 1-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-4-phenyl-3,4-dihydroisoquinoline dihydrochloride Openeye Name: 1-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-4-phenyl-3,4-dihydroisoquinoline dihydrochloride CAS Name: 1-ethyl-3-[4-(4-fluorophenyl)-1-piperazinyl]-4-phenyl-3,4-dihydroisoquinoline dihydrochloride IUPAC Name: 1-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-4-phenyl-3,4-dihydroisoquinoline dihydrochloride Traditional Name: 1-ethyl-3-[4-(4-fluorophenyl)piperazino]-4-phenyl-3,4-dihydroisoquinoline dihydrochloride Formula: C27H30Cl2FN3 MolecularWeight: 486.451603

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(C(C2=CC=CC=C21)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)F.Cl.Cl

Isomeric SMILES

CCC1=NC(C(C2=CC=CC=C21)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)F.Cl.Cl

InChI

InChI=1S/C27H28FN3.2ClH/c1-2-25-23-10-6-7-11-24(23)26(20-8-4-3-5-9-20)27(29-25)31-18-16-30(17-19-31)22-14-12-21(28)13-15-22;;/h3-15,26-27H,2,16-19H2,1H3;2*1H