tert-butyl N-[4-[[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]carbamoyl]phenyl]carbamate CAS Name: N-[4-[oxo-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]hydrazo]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]carbamoyl]phenyl]carbamate Traditional Name: N-[4-[[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C26H31N5O5 MolecularWeight: 493.55484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O5/c1-5-6-9-16-31-24(34)20-11-8-7-10-19(20)21(30-31)23(33)29-28-22(32)17-12-14-18(15-13-17)27-25(35)36-26(2,3)4/h7-8,10-15H,5-6,9,16H2,1-4H3,(H,27,35)(H,28,32)(H,29,33)