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

Systemtic Name: 2-(3-bromophenyl)ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: 2-(3-bromophenyl)ethyl 4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxylic acid 2-(3-bromophenyl)ethyl ester IUPAC Name: 2-(3-bromophenyl)ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxylic acid 2-(3-bromophenyl)ethyl ester Formula: C19H19BrF3N3O2 MolecularWeight: 458.27227

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)OCCC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)OCCC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H19BrF3N3O2/c20-16-3-1-2-14(12-16)6-11-28-18(27)26-9-7-25(8-10-26)17-5-4-15(13-24-17)19(21,22)23/h1-5,12-13H,6-11H2