[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)COC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)COC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O3/c28-21(26-12-10-25(11-13-26)20-8-4-5-9-23-20)17-30-22(29)19-14-24-27(16-19)15-18-6-2-1-3-7-18/h1-9,14,16H,10-13,15,17H2