2-[[3,4-bis(fluoranyl)phenyl]methyl]-7-(3-phenylprop-1-ynyl)isoquinolin-3-one

Systemtic Name: 2-[[3,4-bis(fluoranyl)phenyl]methyl]-7-(3-phenylprop-1-ynyl)isoquinolin-3-one Openeye Name: 2-[(3,4-difluorophenyl)methyl]-7-(3-phenylprop-1-ynyl)isoquinolin-3-one CAS Name: 2-[(3,4-difluorophenyl)methyl]-7-(3-phenylprop-1-ynyl)-3-isoquinolinone IUPAC Name: 2-[(3,4-difluorophenyl)methyl]-7-(3-phenylprop-1-ynyl)isoquinolin-3-one Traditional Name: 2-(3,4-difluorobenzyl)-7-(3-phenylprop-1-ynyl)-3-isoquinolone Formula: C25H17F2NO MolecularWeight: 385.405386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC2=CC3=CN(C(=O)C=C3C=C2)CC4=CC(=C(C=C4)F)F

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=CC3=CN(C(=O)C=C3C=C2)CC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C25H17F2NO/c26-23-12-10-20(14-24(23)27)16-28-17-22-13-19(9-11-21(22)15-25(28)29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-15,17H,7,16H2