5-bromanyl-2-[3-oxidanylidene-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]propyl]isoindole-1,3-dione

Systemtic Name: 5-bromanyl-2-[3-oxidanylidene-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]propyl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]propyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[3-oxo-3-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]propyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propyl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[3-keto-3-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]propyl]isoindoline-1,3-quinone Formula: C21H25BrN4O4 MolecularWeight: 477.3516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H25BrN4O4/c22-15-3-4-16-17(13-15)21(30)26(20(16)29)8-5-18(27)25-11-9-23(10-12-25)14-19(28)24-6-1-2-7-24/h3-4,13H,1-2,5-12,14H2