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

Systemtic Name: tert-butyl 4-[[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]hydrazo]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[(4-keto-3H-phthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H25N5O5 MolecularWeight: 415.443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NNC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NNC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H25N5O5/c1-20(2,3)30-19(29)25-10-8-12(9-11-25)16(26)22-24-18(28)15-13-6-4-5-7-14(13)17(27)23-21-15/h4-7,12H,8-11H2,1-3H3,(H,22,26)(H,23,27)(H,24,28)