tert-butyl 4-[4-bromanyl-2-[(2-oxidanylidenechromen-3-yl)carbonylamino]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-bromanyl-2-[(2-oxidanylidenechromen-3-yl)carbonylamino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-bromo-2-[(2-oxochromene-3-carbonyl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-bromo-2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-bromo-2-[(2-oxochromene-3-carbonyl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-bromo-2-[(2-ketochromene-3-carbonyl)amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H26BrN3O5 MolecularWeight: 528.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Br)NC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Br)NC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C25H26BrN3O5/c1-25(2,3)34-24(32)29-12-10-28(11-13-29)20-9-8-17(26)15-19(20)27-22(30)18-14-16-6-4-5-7-21(16)33-23(18)31/h4-9,14-15H,10-13H2,1-3H3,(H,27,30)