tert-butyl N-[4-[[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]carbamoyl]phenyl]carbamate CAS Name: N-[4-[oxo-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]hydrazo]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]carbamoyl]phenyl]carbamate Traditional Name: N-[4-[[(4-keto-3H-phthalazine-1-carbonyl)amino]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H21N5O5/c1-21(2,3)31-20(30)22-13-10-8-12(9-11-13)17(27)24-26-19(29)16-14-6-4-5-7-15(14)18(28)25-23-16/h4-11H,1-3H3,(H,22,30)(H,24,27)(H,25,28)(H,26,29)