2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid 2-phthalimidoethyl ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H21N3O5/c1-14(2)13-26-22(29)16-8-4-3-7-15(16)19(24-26)23(30)31-12-11-25-20(27)17-9-5-6-10-18(17)21(25)28/h3-10,14H,11-13H2,1-2H3