2,2-bis(fluoranyl)-3-oxidanyl-1-[4-(phenylmethyl)piperazin-1-yl]-3-thiophen-3-yl-propan-1-one

Systemtic Name: 2,2-bis(fluoranyl)-3-oxidanyl-1-[4-(phenylmethyl)piperazin-1-yl]-3-thiophen-3-yl-propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-3-(3-thienyl)propan-1-one CAS Name: 2,2-difluoro-3-hydroxy-1-[4-(phenylmethyl)-1-piperazinyl]-3-(3-thiophenyl)-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-3-thiophen-3-ylpropan-1-one Traditional Name: 1-(4-benzylpiperazino)-2,2-difluoro-3-hydroxy-3-(3-thienyl)propan-1-one Formula: C18H20F2N2O2S MolecularWeight: 366.425406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C(C(C3=CSC=C3)O)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C(C(C3=CSC=C3)O)(F)F

InChI

InChI=1S/C18H20F2N2O2S/c19-18(20,16(23)15-6-11-25-13-15)17(24)22-9-7-21(8-10-22)12-14-4-2-1-3-5-14/h1-6,11,13,16,23H,7-10,12H2