2-[2-[3-(4-bromophenyl)-3-oxidanyl-piperidin-1-yl]ethyl]-3-oxidanyl-3H-benzo[de]isoquinolin-1-one

Systemtic Name: 2-[2-[3-(4-bromophenyl)-3-oxidanyl-piperidin-1-yl]ethyl]-3-oxidanyl-3H-benzo[de]isoquinolin-1-one Openeye Name: 2-[2-[3-(4-bromophenyl)-3-hydroxy-1-piperidyl]ethyl]-3-hydroxy-3H-benzo[de]isoquinolin-1-one CAS Name: 2-[2-[3-(4-bromophenyl)-3-hydroxy-1-piperidinyl]ethyl]-3-hydroxy-3H-benzo[de]isoquinolin-1-one IUPAC Name: 2-[2-[3-(4-bromophenyl)-3-hydroxypiperidin-1-yl]ethyl]-3-hydroxy-3H-benzo[de]isoquinolin-1-one Traditional Name: 2-[2-[3-(4-bromophenyl)-3-hydroxy-piperidino]ethyl]-3-hydroxy-3H-benzo[de]isoquinolin-1-one Formula: C25H25BrN2O3 MolecularWeight: 481.3816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCN2C(C3=CC=CC4=C3C(=CC=C4)C2=O)O)(C5=CC=C(C=C5)Br)O

Isomeric SMILES

C1CC(CN(C1)CCN2C(C3=CC=CC4=C3C(=CC=C4)C2=O)O)(C5=CC=C(C=C5)Br)O

InChI

InChI=1S/C25H25BrN2O3/c26-19-10-8-18(9-11-19)25(31)12-3-13-27(16-25)14-15-28-23(29)20-6-1-4-17-5-2-7-21(22(17)20)24(28)30/h1-2,4-11,23,29,31H,3,12-16H2