tert-butyl 4-[2-[(5-bromanylfuran-2-yl)carbonylamino]-6-chloranyl-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(5-bromanylfuran-2-yl)carbonylamino]-6-chloranyl-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(5-bromofuran-2-carbonyl)amino]-6-chloro-phenyl]piperazine-1-carboxylate CAS Name: 4-[2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-6-chlorophenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(5-bromofuran-2-carbonyl)amino]-6-chlorophenyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(5-bromo-2-furoyl)amino]-6-chloro-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H23BrClN3O4 MolecularWeight: 484.77132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C20H23BrClN3O4/c1-20(2,3)29-19(27)25-11-9-24(10-12-25)17-13(22)5-4-6-14(17)23-18(26)15-7-8-16(21)28-15/h4-8H,9-12H2,1-3H3,(H,23,26)