tert-butyl N-[3-oxidanylidene-3-[2-(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylhydrazinyl]propyl]carbamate

Systemtic Name: tert-butyl N-[3-oxidanylidene-3-[2-(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylhydrazinyl]propyl]carbamate Openeye Name: tert-butyl N-[3-oxo-3-[2-(4-oxo-3-pentyl-phthalazine-1-carbonyl)hydrazino]propyl]carbamate CAS Name: N-[3-oxo-3-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]hydrazo]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-oxo-3-[2-(4-oxo-3-pentylphthalazine-1-carbonyl)hydrazinyl]propyl]carbamate Traditional Name: N-[3-[N'-(3-amyl-4-keto-phthalazine-1-carbonyl)hydrazino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C22H31N5O5 MolecularWeight: 445.51204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O5/c1-5-6-9-14-27-20(30)16-11-8-7-10-15(16)18(26-27)19(29)25-24-17(28)12-13-23-21(31)32-22(2,3)4/h7-8,10-11H,5-6,9,12-14H2,1-4H3,(H,23,31)(H,24,28)(H,25,29)