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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid 4-phthalimidobutyl ester Formula: C28H23N3O5 MolecularWeight: 481.49932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H23N3O5/c32-25-22-14-6-7-15-23(22)26(33)30(25)16-8-9-17-36-28(35)24-20-12-4-5-13-21(20)27(34)31(29-24)18-19-10-2-1-3-11-19/h1-7,10-15H,8-9,16-18H2