tert-butyl 4-[1-(4-chlorophenyl)pyrazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-chlorophenyl)pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(4-chlorophenyl)-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H23ClN4O3 MolecularWeight: 390.86392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CN(N=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CN(N=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H23ClN4O3/c1-19(2,3)27-18(26)23-10-8-22(9-11-23)17(25)14-12-21-24(13-14)16-6-4-15(20)5-7-16/h4-7,12-13H,8-11H2,1-3H3