2,2-dimethylpropyl 4-[4-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: 2,2-dimethylpropyl 4-[4-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: 2,2-dimethylpropyl 4-[4-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[4-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxylic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 4-[4-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxylic acid neopentyl ester Formula: C16H22F3N3O2 MolecularWeight: 345.35999

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)N1CCN(CC1)C2=NC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)COC(=O)N1CCN(CC1)C2=NC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H22F3N3O2/c1-15(2,3)11-24-14(23)22-8-6-21(7-9-22)13-10-12(4-5-20-13)16(17,18)19/h4-5,10H,6-9,11H2,1-3H3