(phenylmethyl) 2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethanoyl]pyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethanoyl]pyrazolidine-1-carboxylate Openeye Name: benzyl 2-[2-[3-(3-pyridyl)pyrazol-1-yl]acetyl]pyrazolidine-1-carboxylate CAS Name: 2-[1-oxo-2-[3-(3-pyridinyl)-1-pyrazolyl]ethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]pyrazolidine-1-carboxylate Traditional Name: 2-[2-[3-(3-pyridyl)pyrazol-1-yl]acetyl]pyrazolidine-1-carboxylic acid benzyl ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CN3C=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

C1CN(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CN3C=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C21H21N5O3/c27-20(15-24-13-9-19(23-24)18-8-4-10-22-14-18)25-11-5-12-26(25)21(28)29-16-17-6-2-1-3-7-17/h1-4,6-10,13-14H,5,11-12,15-16H2