4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-phenyl-3H-isoquinoline dihydrochloride

Systemtic Name: 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-phenyl-3H-isoquinoline dihydrochloride Openeye Name: 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-phenyl-3H-isoquinoline dihydrochloride CAS Name: 4-[2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl]-4-phenyl-3H-isoquinoline dihydrochloride IUPAC Name: 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-phenyl-3H-isoquinoline dihydrochloride Traditional Name: 4-[2-[4-(4-fluorophenyl)piperazino]ethyl]-4-phenyl-3H-isoquinoline dihydrochloride Formula: C27H30Cl2FN3 MolecularWeight: 486.451603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2(CN=CC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=C(C=C5)F.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC2(CN=CC3=CC=CC=C32)C4=CC=CC=C4)C5=CC=C(C=C5)F.Cl.Cl

InChI

InChI=1S/C27H28FN3.2ClH/c28-24-10-12-25(13-11-24)31-18-16-30(17-19-31)15-14-27(23-7-2-1-3-8-23)21-29-20-22-6-4-5-9-26(22)27;;/h1-13,20H,14-19,21H2;2*1H