tert-butyl 4-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-keto-3H-phthalazin-1-yl)acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H24N4O4/c1-19(2,3)27-18(26)23-10-8-22(9-11-23)16(24)12-15-13-6-4-5-7-14(13)17(25)21-20-15/h4-7H,8-12H2,1-3H3,(H,21,25)