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

Systemtic Name: 2-phenylpropyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: 2-phenylpropyl 4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxylic acid 2-phenylpropyl ester IUPAC Name: 2-phenylpropyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxylic acid 2-phenylpropyl ester Formula: C20H22F3N3O2 MolecularWeight: 393.40279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)N1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(COC(=O)N1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C20H22F3N3O2/c1-15(16-5-3-2-4-6-16)14-28-19(27)26-11-9-25(10-12-26)18-8-7-17(13-24-18)20(21,22)23/h2-8,13,15H,9-12,14H2,1H3