2-[2-bromanyl-3,5-bis(oxidanyl)-6-phenyl-phenyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[2-bromanyl-3,5-bis(oxidanyl)-6-phenyl-phenyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(2-bromo-3,5-dihydroxy-6-phenyl-phenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(2-bromo-3,5-dihydroxy-6-phenylphenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(2-bromo-3,5-dihydroxy-6-phenyl-phenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C23H20BrNO3 MolecularWeight: 438.3138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CC3=C(C(=CC(=C3Br)O)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CC3=C(C(=CC(=C3Br)O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H20BrNO3/c24-23-18(22(19(26)13-20(23)27)16-7-2-1-3-8-16)12-21(28)25-11-10-15-6-4-5-9-17(15)14-25/h1-9,13,26-27H,10-12,14H2