2-[2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(6-bromo-2-oxo-chromene-3-carbonyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-[(6-bromo-2-oxo-1-benzopyran-3-yl)-oxomethyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(6-bromo-2-oxochromene-3-carbonyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(6-bromo-2-keto-chromene-3-carbonyl)piperazino]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C28H22BrN3O5 MolecularWeight: 560.39538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC6=C(C=CC(=C6)Br)OC5=O

Isomeric SMILES

C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC6=C(C=CC(=C6)Br)OC5=O

InChI

InChI=1S/C28H22BrN3O5/c29-19-7-8-23-18(15-19)16-22(28(36)37-23)25(33)31-12-9-30(10-13-31)11-14-32-26(34)20-5-1-3-17-4-2-6-21(24(17)20)27(32)35/h1-8,15-16H,9-14H2