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

Systemtic Name: tert-butyl 4-[4-[(2-oxidanylidenechromen-3-yl)carbonylamino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(2-ketochromene-3-carbonyl)amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O5/c1-25(2,3)33-24(31)28-14-12-27(13-15-28)19-10-8-18(9-11-19)26-22(29)20-16-17-6-4-5-7-21(17)32-23(20)30/h4-11,16H,12-15H2,1-3H3,(H,26,29)