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

Systemtic Name: tert-butyl 4-[4-bromanyl-2-[(4-oxidanylidenechromen-2-yl)carbonylamino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-bromo-2-[(4-oxochromene-2-carbonyl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-bromo-2-[[oxo-(4-oxo-1-benzopyran-2-yl)methyl]amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-bromo-2-[(4-oxochromene-2-carbonyl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-bromo-2-[(4-ketochromene-2-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=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Br)NC(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

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