1-(4-ethoxyphenyl)-3-[[5-(3-fluorophenyl)isoquinolin-8-yl]methyl]urea

Systemtic Name: 1-(4-ethoxyphenyl)-3-[[5-(3-fluorophenyl)isoquinolin-8-yl]methyl]urea Openeye Name: 1-(4-ethoxyphenyl)-3-[[5-(3-fluorophenyl)-8-isoquinolyl]methyl]urea CAS Name: 1-(4-ethoxyphenyl)-3-[[5-(3-fluorophenyl)-8-isoquinolinyl]methyl]urea IUPAC Name: 1-(4-ethoxyphenyl)-3-[[5-(3-fluorophenyl)isoquinolin-8-yl]methyl]urea Traditional Name: 1-[[5-(3-fluorophenyl)-8-isoquinolyl]methyl]-3-p-phenetyl-urea Formula: C25H22FN3O2 MolecularWeight: 415.459483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)NCC2=C3C=NC=CC3=C(C=C2)C4=CC(=CC=C4)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)NCC2=C3C=NC=CC3=C(C=C2)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H22FN3O2/c1-2-31-21-9-7-20(8-10-21)29-25(30)28-15-18-6-11-22(17-4-3-5-19(26)14-17)23-12-13-27-16-24(18)23/h3-14,16H,2,15H2,1H3,(H2,28,29,30)