tert-butyl 4-[[3-(4-chlorophenyl)-1H-pyrazol-5-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(4-chlorophenyl)-1H-pyrazol-5-yl]carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-chlorophenyl)-1H-pyrazole-5-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=CC(=NN2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl

InChI

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