[2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(2-ketopyrrolidino)ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N3CCCC3=O

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N3CCCC3=O

InChI

InChI=1S/C21H25N3O5/c1-2-3-4-7-13-24-20(27)16-10-6-5-9-15(16)19(22-24)21(28)29-14-18(26)23-12-8-11-17(23)25/h5-6,9-10H,2-4,7-8,11-14H2,1H3