N-[3-fluoranyl-5-(trifluoromethyl)phenyl]-4-[(6-methoxypyridin-3-yl)methyl]isoquinolin-1-amine

Systemtic Name: N-[3-fluoranyl-5-(trifluoromethyl)phenyl]-4-[(6-methoxypyridin-3-yl)methyl]isoquinolin-1-amine Openeye Name: N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-[(6-methoxy-3-pyridyl)methyl]isoquinolin-1-amine CAS Name: N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-[(6-methoxy-3-pyridinyl)methyl]-1-isoquinolinamine IUPAC Name: N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-[(6-methoxypyridin-3-yl)methyl]isoquinolin-1-amine Traditional Name: [3-fluoro-5-(trifluoromethyl)phenyl]-[4-[(6-methoxy-3-pyridyl)methyl]-1-isoquinolyl]amine Formula: C23H17F4N3O MolecularWeight: 427.394193

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)CC2=CN=C(C3=CC=CC=C32)NC4=CC(=CC(=C4)C(F)(F)F)F

Isomeric SMILES

COC1=NC=C(C=C1)CC2=CN=C(C3=CC=CC=C32)NC4=CC(=CC(=C4)C(F)(F)F)F

InChI

InChI=1S/C23H17F4N3O/c1-31-21-7-6-14(12-28-21)8-15-13-29-22(20-5-3-2-4-19(15)20)30-18-10-16(23(25,26)27)9-17(24)11-18/h2-7,9-13H,8H2,1H3,(H,29,30)