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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H21N3O5/c1-2-3-12-26-22(29)16-9-5-4-8-15(16)19(24-26)23(30)31-14-13-25-20(27)17-10-6-7-11-18(17)21(25)28/h4-11H,2-3,12-14H2,1H3