N-[(3-bromanyl-4-fluoranyl-phenyl)methyl]isoquinolin-5-amine

Systemtic Name: N-[(3-bromanyl-4-fluoranyl-phenyl)methyl]isoquinolin-5-amine Openeye Name: N-[(3-bromo-4-fluoro-phenyl)methyl]isoquinolin-5-amine CAS Name: N-[(3-bromo-4-fluorophenyl)methyl]-5-isoquinolinamine IUPAC Name: N-[(3-bromo-4-fluorophenyl)methyl]isoquinolin-5-amine Traditional Name: (3-bromo-4-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=CC(=C(C=C3)F)Br

Isomeric SMILES

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

InChI

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