1-[1-[[2,4-bis(fluoranyl)phenyl]amino]isoquinolin-4-yl]ethanone

Systemtic Name: 1-[1-[[2,4-bis(fluoranyl)phenyl]amino]isoquinolin-4-yl]ethanone Openeye Name: 1-[1-(2,4-difluoroanilino)-4-isoquinolyl]ethanone CAS Name: 1-[1-(2,4-difluoroanilino)-4-isoquinolinyl]ethanone IUPAC Name: 1-[1-(2,4-difluoroanilino)isoquinolin-4-yl]ethanone Traditional Name: 1-[1-(2,4-difluoroanilino)-4-isoquinolyl]ethanone Formula: C17H12F2N2O MolecularWeight: 298.286786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN=C(C2=CC=CC=C21)NC3=C(C=C(C=C3)F)F

Isomeric SMILES

CC(=O)C1=CN=C(C2=CC=CC=C21)NC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C17H12F2N2O/c1-10(22)14-9-20-17(13-5-3-2-4-12(13)14)21-16-7-6-11(18)8-15(16)19/h2-9H,1H3,(H,20,21)