[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl] ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)COC(=O)C1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)COC(=O)C1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C19H25N3O4/c1-18(2,3)11-19(4,5)20-14(23)10-26-17(25)15-12-8-6-7-9-13(12)16(24)22-21-15/h6-9H,10-11H2,1-5H3,(H,20,23)(H,22,24)