(phenylmethyl) 2-[2-(5-bromanylpyridin-3-yl)ethanoyl]pyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-(5-bromanylpyridin-3-yl)ethanoyl]pyrazolidine-1-carboxylate Openeye Name: benzyl 2-[2-(5-bromo-3-pyridyl)acetyl]pyrazolidine-1-carboxylate CAS Name: 2-[2-(5-bromo-3-pyridinyl)-1-oxoethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(5-bromopyridin-3-yl)acetyl]pyrazolidine-1-carboxylate Traditional Name: 2-[2-(5-bromo-3-pyridyl)acetyl]pyrazolidine-1-carboxylic acid benzyl ester Formula: C18H18BrN3O3 MolecularWeight: 404.25782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CC3=CC(=CN=C3)Br

Isomeric SMILES

C1CN(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CC3=CC(=CN=C3)Br

InChI

InChI=1S/C18H18BrN3O3/c19-16-9-15(11-20-12-16)10-17(23)21-7-4-8-22(21)18(24)25-13-14-5-2-1-3-6-14/h1-3,5-6,9,11-12H,4,7-8,10,13H2