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

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (2-morpholino-2-oxo-ethyl) 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (2-keto-2-morpholino-ethyl) ester Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)N2CCOCC2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)N2CCOCC2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C18H20ClN3O4/c1-13-16(17(19)22(20-13)11-14-5-3-2-4-6-14)18(24)26-12-15(23)21-7-9-25-10-8-21/h2-6H,7-12H2,1H3