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

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: (2-morpholino-2-oxo-ethyl) 5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid (2-keto-2-morpholino-ethyl) ester Formula: C19H22ClN3O4 MolecularWeight: 391.84868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OCC(=O)N3CCOCC3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OCC(=O)N3CCOCC3)Cl

InChI

InChI=1S/C19H22ClN3O4/c1-13-3-5-15(6-4-13)11-23-18(20)17(14(2)21-23)19(25)27-12-16(24)22-7-9-26-10-8-22/h3-6H,7-12H2,1-2H3