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

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C19H21ClN4O4 MolecularWeight: 404.84744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)N2CCN(CC2)C(=O)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)N2CCN(CC2)C(=O)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C19H21ClN4O4/c1-13-17(18(20)24(21-13)15-6-4-3-5-7-15)19(27)28-12-16(26)23-10-8-22(9-11-23)14(2)25/h3-7H,8-12H2,1-2H3