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

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-morpholino-2-oxo-ethyl) 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylic acid (2-keto-2-morpholino-ethyl) ester Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=O)COC(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H20ClN3O4/c23-17-8-6-16(7-9-17)21-19(14-26(24-21)18-4-2-1-3-5-18)22(28)30-15-20(27)25-10-12-29-13-11-25/h1-9,14H,10-13,15H2