(phenylmethyl) 4-pyridin-2-yl-3-[2,2,2-tris(fluoranyl)ethanoylamino]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-pyridin-2-yl-3-[2,2,2-tris(fluoranyl)ethanoylamino]piperazine-1-carboxylate Openeye Name: benzyl 4-(2-pyridyl)-3-[(2,2,2-trifluoroacetyl)amino]piperazine-1-carboxylate CAS Name: 4-(2-pyridinyl)-3-[(2,2,2-trifluoro-1-oxoethyl)amino]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-pyridin-2-yl-3-[(2,2,2-trifluoroacetyl)amino]piperazine-1-carboxylate Traditional Name: 4-(2-pyridyl)-3-[(2,2,2-trifluoroacetyl)amino]piperazine-1-carboxylic acid benzyl ester Formula: C19H19F3N4O3 MolecularWeight: 408.37437

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)NC(=O)C(F)(F)F)C3=CC=CC=N3

Isomeric SMILES

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)NC(=O)C(F)(F)F)C3=CC=CC=N3

InChI

InChI=1S/C19H19F3N4O3/c20-19(21,22)17(27)24-16-12-25(10-11-26(16)15-8-4-5-9-23-15)18(28)29-13-14-6-2-1-3-7-14/h1-9,16H,10-13H2,(H,24,27)