methyl 4-[4,4-bis(4-fluorophenyl)butyl]piperazine-1-carboxylate hydrochloride

Systemtic Name: methyl 4-[4,4-bis(4-fluorophenyl)butyl]piperazine-1-carboxylate hydrochloride Openeye Name: methyl 4-[4,4-bis(4-fluorophenyl)butyl]piperazine-1-carboxylate hydrochloride CAS Name: 4-[4,4-bis(4-fluorophenyl)butyl]-1-piperazinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[4,4-bis(4-fluorophenyl)butyl]piperazine-1-carboxylate hydrochloride Traditional Name: 4-[4,4-bis(4-fluorophenyl)butyl]piperazine-1-carboxylic acid methyl ester hydrochloride Formula: C22H27ClF2N2O2 MolecularWeight: 424.911786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.Cl

Isomeric SMILES

COC(=O)N1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.Cl

InChI

InChI=1S/C22H26F2N2O2.ClH/c1-28-22(27)26-15-13-25(14-16-26)12-2-3-21(17-4-8-19(23)9-5-17)18-6-10-20(24)11-7-18;/h4-11,21H,2-3,12-16H2,1H3;1H