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

Systemtic Name: ethyl 4-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H21BrN4O3 MolecularWeight: 421.28834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H21BrN4O3/c1-3-26-18(25)22-10-8-21(9-11-22)17(24)16-12-20-23(13(16)2)15-6-4-14(19)5-7-15/h4-7,12H,3,8-11H2,1-2H3