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

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-phenyl-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] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C28H27N5O4 MolecularWeight: 497.54508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O4/c1-36-23-11-7-8-21(18-23)27-24(19-33(30-27)22-9-3-2-4-10-22)28(35)37-20-26(34)32-16-14-31(15-17-32)25-12-5-6-13-29-25/h2-13,18-19H,14-17,20H2,1H3