(phenylmethyl) 2-(6-cyanopyridin-3-yl)carbonylpyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(6-cyanopyridin-3-yl)carbonylpyrazolidine-1-carboxylate Openeye Name: benzyl 2-(6-cyanopyridine-3-carbonyl)pyrazolidine-1-carboxylate CAS Name: 2-[(6-cyano-3-pyridinyl)-oxomethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(6-cyanopyridine-3-carbonyl)pyrazolidine-1-carboxylate Traditional Name: 2-(6-cyanonicotinoyl)pyrazolidine-1-carboxylic acid benzyl ester Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3/c19-11-16-8-7-15(12-20-16)17(23)21-9-4-10-22(21)18(24)25-13-14-5-2-1-3-6-14/h1-3,5-8,12H,4,9-10,13H2