non-3-ynyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: non-3-ynyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: non-3-ynyl 4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxylic acid non-3-ynyl ester IUPAC Name: non-3-ynyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxylic acid non-3-ynyl ester Formula: C20H26F3N3O2 MolecularWeight: 397.43455

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCCOC(=O)N1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCCC#CCCOC(=O)N1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C20H26F3N3O2/c1-2-3-4-5-6-7-8-15-28-19(27)26-13-11-25(12-14-26)18-10-9-17(16-24-18)20(21,22)23/h9-10,16H,2-5,8,11-15H2,1H3