N-[2-fluoranyl-3-(trifluoromethyl)phenyl]-4-[(6-methoxypyridin-3-yl)methyl]phthalazin-1-amine

Systemtic Name: N-[2-fluoranyl-3-(trifluoromethyl)phenyl]-4-[(6-methoxypyridin-3-yl)methyl]phthalazin-1-amine Openeye Name: N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-[(6-methoxy-3-pyridyl)methyl]phthalazin-1-amine CAS Name: N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-[(6-methoxy-3-pyridinyl)methyl]-1-phthalazinamine IUPAC Name: N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-[(6-methoxypyridin-3-yl)methyl]phthalazin-1-amine Traditional Name: [2-fluoro-3-(trifluoromethyl)phenyl]-[4-[(6-methoxy-3-pyridyl)methyl]phthalazin-1-yl]amine Formula: C22H16F4N4O MolecularWeight: 428.382253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)CC2=NN=C(C3=CC=CC=C32)NC4=CC=CC(=C4F)C(F)(F)F

Isomeric SMILES

COC1=NC=C(C=C1)CC2=NN=C(C3=CC=CC=C32)NC4=CC=CC(=C4F)C(F)(F)F

InChI

InChI=1S/C22H16F4N4O/c1-31-19-10-9-13(12-27-19)11-18-14-5-2-3-6-15(14)21(30-29-18)28-17-8-4-7-16(20(17)23)22(24,25)26/h2-10,12H,11H2,1H3,(H,28,30)