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

Systemtic Name: tert-butyl 4-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-oxo-3H-phthalazine-1-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-oxo-3H-phthalazine-1-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(4-keto-3H-phthalazine-1-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H22N4O4/c1-18(2,3)26-17(25)22-10-8-21(9-11-22)16(24)14-12-6-4-5-7-13(12)15(23)20-19-14/h4-7H,8-11H2,1-3H3,(H,20,23)