[4-[2-[3,4-bis(oxidanyl)pyrrolidin-1-yl]ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone

Systemtic Name: [4-[2-[3,4-bis(oxidanyl)pyrrolidin-1-yl]ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[2-(3,4-dihydroxy-1-pyrrolidinyl)ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methanone IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[2-(3,4-dihydroxypyrrolidino)ethyl]-2-[4-(trifluoromethyl)benzyl]piperazino]methanone Formula: C27H28F9N3O3 MolecularWeight: 613.515149

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CCN2CC(C(C2)O)O)CC3=CC=C(C=C3)C(F)(F)F)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(C(CN1CCN2CC(C(C2)O)O)CC3=CC=C(C=C3)C(F)(F)F)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C27H28F9N3O3/c28-25(29,30)18-3-1-16(2-4-18)9-21-13-37(5-6-38-14-22(40)23(41)15-38)7-8-39(21)24(42)17-10-19(26(31,32)33)12-20(11-17)27(34,35)36/h1-4,10-12,21-23,40-41H,5-9,13-15H2