2-[2-oxidanylidene-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanylidene-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-oxo-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-oxo-2-[4-(4-phenyl-1-phthalazinyl)-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-oxo-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-(4-phenylphthalazin-1-yl)piperazino]ethyl]isoindoline-1,3-quinone Formula: C28H23N5O3 MolecularWeight: 477.51392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1CN(CCN1C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C28H23N5O3/c34-24(18-33-27(35)22-12-6-7-13-23(22)28(33)36)31-14-16-32(17-15-31)26-21-11-5-4-10-20(21)25(29-30-26)19-8-2-1-3-9-19/h1-13H,14-18H2