4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-phenyl-butan-1-one dihydrochloride

Systemtic Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-phenyl-butan-1-one dihydrochloride Openeye Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-phenyl-butan-1-one dihydrochloride CAS Name: 4-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-1-phenyl-1-butanone dihydrochloride IUPAC Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-phenylbutan-1-one dihydrochloride Traditional Name: 4-[4-[bis(4-fluorophenyl)methyl]piperazino]-1-phenyl-butan-1-one dihydrochloride Formula: C27H30Cl2F2N2O MolecularWeight: 507.442706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl.Cl

InChI

InChI=1S/C27H28F2N2O.2ClH/c28-24-12-8-22(9-13-24)27(23-10-14-25(29)15-11-23)31-19-17-30(18-20-31)16-4-7-26(32)21-5-2-1-3-6-21;;/h1-3,5-6,8-15,27H,4,7,16-20H2;2*1H