ethyl N-[3-methyl-1-oxidanylidene-1-[2-(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylhydrazinyl]butan-2-yl]carbamate

Systemtic Name: ethyl N-[3-methyl-1-oxidanylidene-1-[2-(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylhydrazinyl]butan-2-yl]carbamate Openeye Name: ethyl N-[2-methyl-1-[[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]carbamoyl]propyl]carbamate CAS Name: N-[3-methyl-1-oxo-1-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]hydrazo]butan-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-methyl-1-oxo-1-[2-(4-oxo-3-pentylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]carbamate Traditional Name: N-[1-[[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]-2-methyl-propyl]carbamic acid ethyl 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)C(C(C)C)NC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O5/c1-5-7-10-13-27-21(30)16-12-9-8-11-15(16)18(26-27)20(29)25-24-19(28)17(14(3)4)23-22(31)32-6-2/h8-9,11-12,14,17H,5-7,10,13H2,1-4H3,(H,23,31)(H,24,28)(H,25,29)