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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

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