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

Systemtic Name: 3-cyclohexylpropyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: 3-cyclohexylpropyl 4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxylic acid 3-cyclohexylpropyl ester IUPAC Name: 3-cyclohexylpropyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxylic acid 3-cyclohexylpropyl ester Formula: C20H28F3N3O2 MolecularWeight: 399.45043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCOC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)CCCOC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H28F3N3O2/c21-20(22,23)17-8-9-18(24-15-17)25-10-12-26(13-11-25)19(27)28-14-4-7-16-5-2-1-3-6-16/h8-9,15-16H,1-7,10-14H2