8-chloranyl-4-(3-fluoranyl-4-methoxy-phenyl)isoquinoline; N-phenylisoquinolin-1-amine

Systemtic Name: 8-chloranyl-4-(3-fluoranyl-4-methoxy-phenyl)isoquinoline; N-phenylisoquinolin-1-amine Openeye Name: 8-chloro-4-(3-fluoro-4-methoxy-phenyl)isoquinoline; N-phenylisoquinolin-1-amine CAS Name: 8-chloro-4-(3-fluoro-4-methoxyphenyl)isoquinoline; N-phenyl-1-isoquinolinamine IUPAC Name: 8-chloro-4-(3-fluoro-4-methoxyphenyl)isoquinoline; N-phenylisoquinolin-1-amine Traditional Name: 8-chloro-4-(3-fluoro-4-methoxy-phenyl)isoquinoline; 1-isoquinolyl(phenyl)amine Formula: C31H23ClFN3O MolecularWeight: 507.985223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C=CC=C(C3=CN=C2)Cl)F.C1=CC=C(C=C1)NC2=NC=CC3=CC=CC=C32

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C=CC=C(C3=CN=C2)Cl)F.C1=CC=C(C=C1)NC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C16H11ClFNO.C15H12N2/c1-20-16-6-5-10(7-15(16)18)12-8-19-9-13-11(12)3-2-4-14(13)17;1-2-7-13(8-3-1)17-15-14-9-5-4-6-12(14)10-11-16-15/h2-9H,1H3;1-11H,(H,16,17)