ethyl 4-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H19BrN4O3 MolecularWeight: 407.26176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H19BrN4O3/c1-2-25-17(24)22-9-7-21(8-10-22)16(23)15-11-14(19-20-15)12-3-5-13(18)6-4-12/h3-6,11H,2,7-10H2,1H3,(H,19,20)