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

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H29N5O3/c1-21-11-12-24(22(2)18-21)28-25(19-34(31-28)23-8-4-3-5-9-23)29(36)37-20-27(35)33-16-14-32(15-17-33)26-10-6-7-13-30-26/h3-13,18-19H,14-17,20H2,1-2H3