1,4-bis[[2-(trifluoromethyl)phenyl]methyl]piperazine; ethanedioic acid

Systemtic Name: 1,4-bis[[2-(trifluoromethyl)phenyl]methyl]piperazine; ethanedioic acid Openeye Name: 1,4-bis[[2-(trifluoromethyl)phenyl]methyl]piperazine; oxalic acid CAS Name: 1,4-bis[[2-(trifluoromethyl)phenyl]methyl]piperazine; oxalic acid IUPAC Name: 1,4-bis[[2-(trifluoromethyl)phenyl]methyl]piperazine; oxalic acid Traditional Name: 1,4-bis[2-(trifluoromethyl)benzyl]piperazine; oxalic acid Formula: C22H22F6N2O4 MolecularWeight: 492.411499

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2C(F)(F)F)CC3=CC=CC=C3C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2C(F)(F)F)CC3=CC=CC=C3C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H20F6N2.C2H2O4/c21-19(22,23)17-7-3-1-5-15(17)13-27-9-11-28(12-10-27)14-16-6-2-4-8-18(16)20(24,25)26;3-1(4)2(5)6/h1-8H,9-14H2;(H,3,4)(H,5,6)