(2-oxidanylidene-2-piperidin-1-yl-ethyl) 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylic acid (2-keto-2-piperidino-ethyl) ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3/c27-20(25-12-5-2-6-13-25)16-29-22(28)19-15-26(18-9-3-1-4-10-18)24-21(19)17-8-7-11-23-14-17/h1,3-4,7-11,14-15H,2,5-6,12-13,16H2