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

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-morpholino-2-oxo-ethyl) 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 3-(3-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylic acid (2-keto-2-morpholino-ethyl) ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O4/c1-17-6-5-7-18(14-17)22-20(15-26(24-22)19-8-3-2-4-9-19)23(28)30-16-21(27)25-10-12-29-13-11-25/h2-9,14-15H,10-13,16H2,1H3