[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC(=O)NCC=C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC(=O)NCC=C

InChI

InChI=1S/C21H26N4O5/c1-3-5-6-9-13-25-19(27)16-11-8-7-10-15(16)18(24-25)20(28)30-14-17(26)23-21(29)22-12-4-2/h4,7-8,10-11H,2-3,5-6,9,12-14H2,1H3,(H2,22,23,26,29)