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

Systemtic Name: 1-(3-fluorophenyl)-3-[[5-(4-methoxy-3-methyl-phenyl)isoquinolin-8-yl]methyl]urea Openeye Name: 1-(3-fluorophenyl)-3-[[5-(4-methoxy-3-methyl-phenyl)-8-isoquinolyl]methyl]urea CAS Name: 1-(3-fluorophenyl)-3-[[5-(4-methoxy-3-methylphenyl)-8-isoquinolinyl]methyl]urea IUPAC Name: 1-(3-fluorophenyl)-3-[[5-(4-methoxy-3-methylphenyl)isoquinolin-8-yl]methyl]urea Traditional Name: 1-(3-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=C4)F)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)NC4=CC(=CC=C4)F)OC

InChI

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