(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)COC(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H20ClN3O3/c23-17-10-8-16(9-11-17)21-19(14-26(24-21)18-6-2-1-3-7-18)22(28)29-15-20(27)25-12-4-5-13-25/h1-3,6-11,14H,4-5,12-13,15H2