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

Systemtic Name: 2-[2-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-bromanyl-isoindole-1,3-dione Openeye Name: 2-[2-[4-(benzofuran-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]-5-bromo-isoindoline-1,3-dione CAS Name: 2-[2-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]-5-bromoisoindole-1,3-dione IUPAC Name: 2-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-bromoisoindole-1,3-dione Traditional Name: 2-[2-[4-(benzofuran-2-carbonyl)piperazino]-2-keto-ethyl]-5-bromo-isoindoline-1,3-quinone Formula: C23H18BrN3O5 MolecularWeight: 496.31012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C23H18BrN3O5/c24-15-5-6-16-17(12-15)22(30)27(21(16)29)13-20(28)25-7-9-26(10-8-25)23(31)19-11-14-3-1-2-4-18(14)32-19/h1-6,11-12H,7-10,13H2