2-[4-(4-chlorophenyl)piperidin-1-yl]-1-[2-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-one dihydrochloride

Systemtic Name: 2-[4-(4-chlorophenyl)piperidin-1-yl]-1-[2-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-one dihydrochloride Openeye Name: 2-[4-(4-chlorophenyl)-1-piperidyl]-1-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-one dihydrochloride CAS Name: 2-[4-(4-chlorophenyl)-1-piperidinyl]-1-[2-fluoro-4-(1-pyrrolidinylmethyl)phenyl]-1-butanone dihydrochloride IUPAC Name: 2-[4-(4-chlorophenyl)piperidin-1-yl]-1-[2-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-one dihydrochloride Traditional Name: 2-[4-(4-chlorophenyl)piperidino]-1-[2-fluoro-4-(pyrrolidinomethyl)phenyl]butan-1-one dihydrochloride Formula: C26H34Cl3FN2O MolecularWeight: 515.918363

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=C(C=C(C=C1)CN2CCCC2)F)N3CCC(CC3)C4=CC=C(C=C4)Cl.Cl.Cl

Isomeric SMILES

CCC(C(=O)C1=C(C=C(C=C1)CN2CCCC2)F)N3CCC(CC3)C4=CC=C(C=C4)Cl.Cl.Cl

InChI

InChI=1S/C26H32ClFN2O.2ClH/c1-2-25(30-15-11-21(12-16-30)20-6-8-22(27)9-7-20)26(31)23-10-5-19(17-24(23)28)18-29-13-3-4-14-29;;/h5-10,17,21,25H,2-4,11-16,18H2,1H3;2*1H