2-[2-[4-[3-(2-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-[3-(2-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-[3-(2-bromophenoxy)-2-hydroxy-propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-[3-(2-bromophenoxy)-2-hydroxypropyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-[3-(2-bromophenoxy)-2-hydroxypropyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-[3-(2-bromophenoxy)-2-hydroxy-propyl]piperazino]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C27H28BrN3O4 MolecularWeight: 538.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(COC5=CC=CC=C5Br)O

Isomeric SMILES

C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(COC5=CC=CC=C5Br)O

InChI

InChI=1S/C27H28BrN3O4/c28-23-9-1-2-10-24(23)35-18-20(32)17-30-13-11-29(12-14-30)15-16-31-26(33)21-7-3-5-19-6-4-8-22(25(19)21)27(31)34/h1-10,20,32H,11-18H2