ethanedioic acid; 1-phenyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanol

Systemtic Name: ethanedioic acid; 1-phenyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanol Openeye Name: oxalic acid; 1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]ethanol CAS Name: oxalic acid; 1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]ethanol IUPAC Name: oxalic acid; 1-phenyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanol Traditional Name: oxalic acid; 1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]ethanol Formula: C20H22F3N3O5 MolecularWeight: 441.40099

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(C2=CC=CC=C2)O)C3=NC=C(C=C3)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC(C2=CC=CC=C2)O)C3=NC=C(C=C3)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20F3N3O.C2H2O4/c19-18(20,21)15-6-7-17(22-12-15)24-10-8-23(9-11-24)13-16(25)14-4-2-1-3-5-14;3-1(4)2(5)6/h1-7,12,16,25H,8-11,13H2;(H,3,4)(H,5,6)