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

Systemtic Name: tert-butyl 3-[[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[oxo-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]hydrazo]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H35N5O5 MolecularWeight: 485.5759

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3CCCN(C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3CCCN(C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H35N5O5/c1-5-6-9-15-30-23(33)19-13-8-7-12-18(19)20(28-30)22(32)27-26-21(31)17-11-10-14-29(16-17)24(34)35-25(2,3)4/h7-8,12-13,17H,5-6,9-11,14-16H2,1-4H3,(H,26,31)(H,27,32)