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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid phthalimidomethyl ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H19N3O5/c1-2-3-12-25-21(28)15-9-5-4-8-14(15)18(23-25)22(29)30-13-24-19(26)16-10-6-7-11-17(16)20(24)27/h4-11H,2-3,12-13H2,1H3