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

Systemtic Name: 5-bromanyl-2-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[4-keto-4-(4-phenylpiperazino)butyl]isoindoline-1,3-quinone Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O3/c23-16-8-9-18-19(15-16)22(29)26(21(18)28)10-4-7-20(27)25-13-11-24(12-14-25)17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14H2