1-[(4-bromanyl-3-fluoranyl-phenyl)methyl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[(4-bromanyl-3-fluoranyl-phenyl)methyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[(4-bromo-3-fluoro-phenyl)methyl]-3-(5-isoquinolyl)urea CAS Name: 1-[(4-bromo-3-fluorophenyl)methyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[(4-bromo-3-fluorophenyl)methyl]-3-isoquinolin-5-ylurea Traditional Name: 1-(4-bromo-3-fluoro-benzyl)-3-(5-isoquinolyl)urea Formula: C17H13BrFN3O MolecularWeight: 374.207023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrFN3O/c18-14-5-4-11(8-15(14)19)9-21-17(23)22-16-3-1-2-12-10-20-7-6-13(12)16/h1-8,10H,9H2,(H2,21,22,23)