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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H25N3O5/c1-2-3-15-28-24(31)18-11-5-4-10-17(18)21(26-28)25(32)33-16-9-8-14-27-22(29)19-12-6-7-13-20(19)23(27)30/h4-7,10-13H,2-3,8-9,14-16H2,1H3