1-[[3,5-bis(fluoranyl)phenyl]methyl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[[3,5-bis(fluoranyl)phenyl]methyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[(3,5-difluorophenyl)methyl]-3-(5-isoquinolyl)urea CAS Name: 1-[(3,5-difluorophenyl)methyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[(3,5-difluorophenyl)methyl]-3-isoquinolin-5-ylurea Traditional Name: 1-(3,5-difluorobenzyl)-3-(5-isoquinolyl)urea Formula: C17H13F2N3O MolecularWeight: 313.301426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)NCC3=CC(=CC(=C3)F)F

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)NCC3=CC(=CC(=C3)F)F

InChI

InChI=1S/C17H13F2N3O/c18-13-6-11(7-14(19)8-13)9-21-17(23)22-16-3-1-2-12-10-20-5-4-15(12)16/h1-8,10H,9H2,(H2,21,22,23)