1-(3-cyanophenyl)-3-[[5-(3-fluorophenyl)isoquinolin-8-yl]methyl]urea

Systemtic Name: 1-(3-cyanophenyl)-3-[[5-(3-fluorophenyl)isoquinolin-8-yl]methyl]urea Openeye Name: 1-(3-cyanophenyl)-3-[[5-(3-fluorophenyl)-8-isoquinolyl]methyl]urea CAS Name: 1-(3-cyanophenyl)-3-[[5-(3-fluorophenyl)-8-isoquinolinyl]methyl]urea IUPAC Name: 1-(3-cyanophenyl)-3-[[5-(3-fluorophenyl)isoquinolin-8-yl]methyl]urea Traditional Name: 1-(3-cyanophenyl)-3-[[5-(3-fluorophenyl)-8-isoquinolyl]methyl]urea Formula: C24H17FN4O MolecularWeight: 396.416383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NCC2=C3C=NC=CC3=C(C=C2)C4=CC(=CC=C4)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NCC2=C3C=NC=CC3=C(C=C2)C4=CC(=CC=C4)F)C#N

InChI

InChI=1S/C24H17FN4O/c25-19-5-2-4-17(12-19)21-8-7-18(23-15-27-10-9-22(21)23)14-28-24(30)29-20-6-1-3-16(11-20)13-26/h1-12,15H,14H2,(H2,28,29,30)