tert-butyl 4-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(5-bromo-2-furoyl)amino]acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C16H22BrN3O5 MolecularWeight: 416.26698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CNC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C16H22BrN3O5/c1-16(2,3)25-15(23)20-8-6-19(7-9-20)13(21)10-18-14(22)11-4-5-12(17)24-11/h4-5H,6-10H2,1-3H3,(H,18,22)