[(1S)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(1S)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-morpholino-2-oxo-1-phenyl-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [(1S)-2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [(1S)-2-keto-2-morpholino-1-phenyl-ethyl] ester Formula: C23H22ClN3O4 MolecularWeight: 439.89148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C2=CC=CC=C2)C(=O)N3CCOCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[C@@H](C2=CC=CC=C2)C(=O)N3CCOCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H22ClN3O4/c1-16-19(21(24)27(25-16)18-10-6-3-7-11-18)23(29)31-20(17-8-4-2-5-9-17)22(28)26-12-14-30-15-13-26/h2-11,20H,12-15H2,1H3/t20-/m0/s1