tert-butyl 4-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(4-keto-3H-phthalazin-1-yl)methyl]benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C25H28N4O4/c1-25(2,3)33-24(32)29-13-11-28(12-14-29)23(31)18-8-6-7-17(15-18)16-21-19-9-4-5-10-20(19)22(30)27-26-21/h4-10,15H,11-14,16H2,1-3H3,(H,27,30)