1-(3-bromanyl-4-fluoranyl-phenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride

Systemtic Name: 1-(3-bromanyl-4-fluoranyl-phenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(3-bromo-4-fluoro-phenyl)propan-1-one dihydrochloride CAS Name: 1-(3-bromo-4-fluorophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone dihydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(3-bromo-4-fluorophenyl)propan-1-one dihydrochloride Traditional Name: 3-(4-benzylpiperazino)-1-(3-bromo-4-fluoro-phenyl)propan-1-one dihydrochloride Formula: C20H24BrCl2FN2O MolecularWeight: 478.225763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC(=C(C=C2)F)Br)CC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC(=C(C=C2)F)Br)CC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C20H22BrFN2O.2ClH/c21-18-14-17(6-7-19(18)22)20(25)8-9-23-10-12-24(13-11-23)15-16-4-2-1-3-5-16;;/h1-7,14H,8-13,15H2;2*1H