1-[2,4-bis(fluoranyl)phenyl]-3-[(2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]urea

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-3-[(2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]urea Openeye Name: 1-(2,4-difluorophenyl)-3-[(2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]urea CAS Name: 1-(2,4-difluorophenyl)-3-[(2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl]urea IUPAC Name: 1-(2,4-difluorophenyl)-3-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]urea Traditional Name: 1-(2,4-difluorophenyl)-3-[(1-keto-2-methyl-4-phenyl-3-isoquinolyl)methyl]urea Formula: C24H19F2N3O2 MolecularWeight: 419.423366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)CNC(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)CNC(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C24H19F2N3O2/c1-29-21(14-27-24(31)28-20-12-11-16(25)13-19(20)26)22(15-7-3-2-4-8-15)17-9-5-6-10-18(17)23(29)30/h2-13H,14H2,1H3,(H2,27,28,31)