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

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C21H27ClN4O3 MolecularWeight: 418.91708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O3/c1-15(2)13-26-20(22)19(16(3)23-26)21(28)29-14-18(27)25-11-9-24(10-12-25)17-7-5-4-6-8-17/h4-8,15H,9-14H2,1-3H3