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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

InChI

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