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

Systemtic Name: 5-bromanyl-2-[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-acetylpiperazin-1-yl)-4-oxo-butyl]-5-bromo-isoindoline-1,3-dione CAS Name: 2-[4-(4-acetyl-1-piperazinyl)-4-oxobutyl]-5-bromoisoindole-1,3-dione IUPAC Name: 2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-5-bromoisoindole-1,3-dione Traditional Name: 2-[4-(4-acetylpiperazino)-4-keto-butyl]-5-bromo-isoindoline-1,3-quinone Formula: C18H20BrN3O4 MolecularWeight: 422.2731

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C18H20BrN3O4/c1-12(23)20-7-9-21(10-8-20)16(24)3-2-6-22-17(25)14-5-4-13(19)11-15(14)18(22)26/h4-5,11H,2-3,6-10H2,1H3