1-[1-[(3-chloranyl-4-methoxy-phenyl)methylamino]-7-(trifluoromethyl)phthalazin-5-yl]piperidin-4-ol

Systemtic Name: 1-[1-[(3-chloranyl-4-methoxy-phenyl)methylamino]-7-(trifluoromethyl)phthalazin-5-yl]piperidin-4-ol Openeye Name: 1-[1-[(3-chloro-4-methoxy-phenyl)methylamino]-7-(trifluoromethyl)phthalazin-5-yl]piperidin-4-ol CAS Name: 1-[1-[(3-chloro-4-methoxyphenyl)methylamino]-7-(trifluoromethyl)-5-phthalazinyl]-4-piperidinol IUPAC Name: 1-[1-[(3-chloro-4-methoxyphenyl)methylamino]-7-(trifluoromethyl)phthalazin-5-yl]piperidin-4-ol Traditional Name: 1-[1-[(3-chloro-4-methoxy-benzyl)amino]-7-(trifluoromethyl)phthalazin-5-yl]piperidin-4-ol Formula: C22H22ClF3N4O2 MolecularWeight: 466.88389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=CC3=C(C=C(C=C32)C(F)(F)F)N4CCC(CC4)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=CC3=C(C=C(C=C32)C(F)(F)F)N4CCC(CC4)O)Cl

InChI

InChI=1S/C22H22ClF3N4O2/c1-32-20-3-2-13(8-18(20)23)11-27-21-16-9-14(22(24,25)26)10-19(17(16)12-28-29-21)30-6-4-15(31)5-7-30/h2-3,8-10,12,15,31H,4-7,11H2,1H3,(H,27,29)