N-[(4-bromanyl-2-fluoranyl-phenyl)methyl]isoquinolin-5-amine

Systemtic Name: N-[(4-bromanyl-2-fluoranyl-phenyl)methyl]isoquinolin-5-amine Openeye Name: N-[(4-bromo-2-fluoro-phenyl)methyl]isoquinolin-5-amine CAS Name: N-[(4-bromo-2-fluorophenyl)methyl]-5-isoquinolinamine IUPAC Name: N-[(4-bromo-2-fluorophenyl)methyl]isoquinolin-5-amine Traditional Name: (4-bromo-2-fluoro-benzyl)-(5-isoquinolyl)amine Formula: C16H12BrFN2 MolecularWeight: 331.182283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrFN2/c17-13-5-4-12(15(18)8-13)10-20-16-3-1-2-11-9-19-7-6-14(11)16/h1-9,20H,10H2