5-bromanyl-2-[4-oxidanylidene-4-(4-pyrazin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione

Systemtic Name: 5-bromanyl-2-[4-oxidanylidene-4-(4-pyrazin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[4-oxo-4-(4-pyrazin-2-ylpiperazin-1-yl)butyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[4-oxo-4-[4-(2-pyrazinyl)-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[4-oxo-4-(4-pyrazin-2-ylpiperazin-1-yl)butyl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[4-keto-4-(4-pyrazin-2-ylpiperazino)butyl]isoindoline-1,3-quinone Formula: C20H20BrN5O3 MolecularWeight: 458.3085

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CN=C2)C(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=NC=CN=C2)C(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C20H20BrN5O3/c21-14-3-4-15-16(12-14)20(29)26(19(15)28)7-1-2-18(27)25-10-8-24(9-11-25)17-13-22-5-6-23-17/h3-6,12-13H,1-2,7-11H2