5,6-bis(chloranyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 5,6-bis(chloranyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 5,6-dichloro-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 5,6-dichloro-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]isoindole-1,3-dione IUPAC Name: 5,6-dichloro-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 5,6-dichloro-2-[2-keto-2-(4-phenylpiperazino)ethyl]isoindoline-1,3-quinone Formula: C20H17Cl2N3O3 MolecularWeight: 418.27328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC(=C(C=C4C3=O)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC(=C(C=C4C3=O)Cl)Cl

InChI

InChI=1S/C20H17Cl2N3O3/c21-16-10-14-15(11-17(16)22)20(28)25(19(14)27)12-18(26)24-8-6-23(7-9-24)13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2