[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC

InChI

InChI=1S/C18H23N3O4/c1-4-8-12(3)19-15(22)11-25-18(24)16-13-9-6-7-10-14(13)17(23)21(5-2)20-16/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,19,22)