(phenylmethyl) 2-[2-(3-pyridin-4-ylpyrazol-1-yl)ethanoyl]pyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-(3-pyridin-4-ylpyrazol-1-yl)ethanoyl]pyrazolidine-1-carboxylate Openeye Name: benzyl 2-[2-[3-(4-pyridyl)pyrazol-1-yl]acetyl]pyrazolidine-1-carboxylate CAS Name: 2-[1-oxo-2-(3-pyridin-4-yl-1-pyrazolyl)ethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(3-pyridin-4-ylpyrazol-1-yl)acetyl]pyrazolidine-1-carboxylate Traditional Name: 2-[2-[3-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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