[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate

Systemtic Name: [4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate Openeye Name: [4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate CAS Name: 4-(4-pyrimidinylmethyl)-1-piperazinecarboxylic acid [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] ester IUPAC Name: [4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 4-(pyrimidin-4-ylmethyl)piperazine-1-carboxylate Traditional Name: 4-(4-pyrimidylmethyl)piperazine-1-carboxylic acid [4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl] ester Formula: C22H20F3N5O3 MolecularWeight: 459.42111

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC=NC=C2)C(=O)OC3=CC=C(C=C3)OC4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=NC=NC=C2)C(=O)OC3=CC=C(C=C3)OC4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H20F3N5O3/c23-22(24,25)16-1-6-20(27-13-16)32-18-2-4-19(5-3-18)33-21(31)30-11-9-29(10-12-30)14-17-7-8-26-15-28-17/h1-8,13,15H,9-12,14H2