tert-butyl 4-[3-[(5-bromanylfuran-2-yl)carbonylamino]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(5-bromanylfuran-2-yl)carbonylamino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(5-bromofuran-2-carbonyl)amino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-[[(5-bromo-2-furanyl)-oxomethyl]amino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(5-bromofuran-2-carbonyl)amino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(5-bromo-2-furoyl)amino]benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H24BrN3O5 MolecularWeight: 478.33636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C21H24BrN3O5/c1-21(2,3)30-20(28)25-11-9-24(10-12-25)19(27)14-5-4-6-15(13-14)23-18(26)16-7-8-17(22)29-16/h4-8,13H,9-12H2,1-3H3,(H,23,26)