3-bromanyl-N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-4-fluoranyl-benzamide

Systemtic Name: 3-bromanyl-N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[1-benzyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-bromo-4-fluoro-benzamide CAS Name: 3-bromo-N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide IUPAC Name: 3-bromo-N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide Traditional Name: N-[1-benzyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-3-bromo-4-fluoro-benzamide Formula: C27H26BrFN2O4 MolecularWeight: 541.408743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)F)Br)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)F)Br)OC

InChI

InChI=1S/C27H26BrFN2O4/c1-34-24-14-18-10-11-31(16-20(18)15-25(24)35-2)27(33)23(12-17-6-4-3-5-7-17)30-26(32)19-8-9-22(29)21(28)13-19/h3-9,13-15,23H,10-12,16H2,1-2H3,(H,30,32)