tert-butyl 4-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(4-bromophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H25BrN4O3 MolecularWeight: 449.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H25BrN4O3/c1-14-17(13-22-25(14)16-7-5-15(21)6-8-16)18(26)23-9-11-24(12-10-23)19(27)28-20(2,3)4/h5-8,13H,9-12H2,1-4H3