2-[2-[4-(6-bromanyl-8-methoxy-2-oxidanylidene-chromen-3-yl)carbonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(6-bromanyl-8-methoxy-2-oxidanylidene-chromen-3-yl)carbonylpiperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(6-bromo-8-methoxy-2-oxo-chromene-3-carbonyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-[(6-bromo-8-methoxy-2-oxo-1-benzopyran-3-yl)-oxomethyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(6-bromo-8-methoxy-2-oxochromene-3-carbonyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(6-bromo-2-keto-8-methoxy-chromene-3-carbonyl)piperazino]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C29H24BrN3O6 MolecularWeight: 590.42136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CCN(CC3)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

Isomeric SMILES

COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)N3CCN(CC3)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

InChI

InChI=1S/C29H24BrN3O6/c1-38-23-16-19(30)14-18-15-22(29(37)39-25(18)23)26(34)32-11-8-31(9-12-32)10-13-33-27(35)20-6-2-4-17-5-3-7-21(24(17)20)28(33)36/h2-7,14-16H,8-13H2,1H3