1-(2-fluorophenyl)-3-[[5-(4-methoxy-3-methyl-phenyl)isoquinolin-8-yl]methyl]urea

Systemtic Name: 1-(2-fluorophenyl)-3-[[5-(4-methoxy-3-methyl-phenyl)isoquinolin-8-yl]methyl]urea Openeye Name: 1-(2-fluorophenyl)-3-[[5-(4-methoxy-3-methyl-phenyl)-8-isoquinolyl]methyl]urea CAS Name: 1-(2-fluorophenyl)-3-[[5-(4-methoxy-3-methylphenyl)-8-isoquinolinyl]methyl]urea IUPAC Name: 1-(2-fluorophenyl)-3-[[5-(4-methoxy-3-methylphenyl)isoquinolin-8-yl]methyl]urea Traditional Name: 1-(2-fluorophenyl)-3-[[5-(4-methoxy-3-methyl-phenyl)-8-isoquinolyl]methyl]urea Formula: C25H22FN3O2 MolecularWeight: 415.459483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)NC4=CC=CC=C4F)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)NC4=CC=CC=C4F)OC

InChI

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