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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid 2-phthalimidoethyl ester Formula: C25H25N3O5 MolecularWeight: 447.4831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H25N3O5/c1-2-3-4-9-14-28-24(31)18-11-6-5-10-17(18)21(26-28)25(32)33-16-15-27-22(29)19-12-7-8-13-20(19)23(27)30/h5-8,10-13H,2-4,9,14-16H2,1H3