tert-butyl 4-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]hydrazo]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H31N5O5 MolecularWeight: 457.52274

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H31N5O5/c1-5-12-28-21(31)17-9-7-6-8-16(17)18(26-28)20(30)25-24-19(29)15-10-13-27(14-11-15)22(32)33-23(2,3)4/h6-9,15H,5,10-14H2,1-4H3,(H,24,29)(H,25,30)