[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C21H19BrN4O5 MolecularWeight: 487.30336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H19BrN4O5/c22-15-5-3-14(4-6-15)16-12-17(24-23-16)21(29)31-13-19(27)25-7-9-26(10-8-25)20(28)18-2-1-11-30-18/h1-6,11-12H,7-10,13H2,(H,23,24)