[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H30N4O5 MolecularWeight: 430.4974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O5/c1-5-6-7-10-13-26-19(28)16-12-9-8-11-15(16)18(25-26)20(29)31-14-17(27)23-21(30)24-22(2,3)4/h8-9,11-12H,5-7,10,13-14H2,1-4H3,(H2,23,24,27,30)