[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 1-benzyl-3-(2-thienyl)pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-3-thiophen-2-yl-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-benzyl-3-thiophen-2-ylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(2-thienyl)pyrazole-4-carboxylic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)COC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)COC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C26H25N5O3S/c32-24(30-14-12-29(13-15-30)23-10-4-5-11-27-23)19-34-26(33)21-18-31(17-20-7-2-1-3-8-20)28-25(21)22-9-6-16-35-22/h1-11,16,18H,12-15,17,19H2