tert-butyl 4-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-(4-bromo-3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H27BrN4O3 MolecularWeight: 463.36808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN4O3/c1-14-18(22)15(2)26(23-14)17-8-6-16(7-9-17)19(27)24-10-12-25(13-11-24)20(28)29-21(3,4)5/h6-9H,10-13H2,1-5H3