tert-butyl 4-[(1-oxidanylidenephthalazin-2-yl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(1-oxidanylidenephthalazin-2-yl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(1-oxophthalazin-2-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(1-oxo-2-phthalazinyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(1-oxophthalazin-2-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(1-ketophthalazin-2-yl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CN2C(=O)C3=CC=CC=C3C=N2

InChI

InChI=1S/C18H24N4O3/c1-18(2,3)25-17(24)21-10-8-20(9-11-21)13-22-16(23)15-7-5-4-6-14(15)12-19-22/h4-7,12H,8-11,13H2,1-3H3