4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-3H-isoquinoline dihydrochloride

Systemtic Name: 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-3H-isoquinoline dihydrochloride Openeye Name: 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-3H-isoquinoline dihydrochloride CAS Name: 4-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-4-phenyl-3H-isoquinoline dihydrochloride IUPAC Name: 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-3H-isoquinoline dihydrochloride Traditional Name: 4-[3-[4-(4-fluorophenyl)piperazino]propyl]-4-phenyl-3H-isoquinoline dihydrochloride Formula: C28H32Cl2FN3 MolecularWeight: 500.478183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2(CN=CC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=C(C=C5)F.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCC2(CN=CC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=C(C=C5)F.Cl.Cl

InChI

InChI=1S/C28H30FN3.2ClH/c29-25-11-13-26(14-12-25)32-19-17-31(18-20-32)16-6-15-28(24-8-2-1-3-9-24)22-30-21-23-7-4-5-10-27(23)28;;/h1-5,7-14,21H,6,15-20,22H2;2*1H