1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-(trifluoromethyl)phthalazin-1-yl]piperidin-4-ol

Systemtic Name: 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-(trifluoromethyl)phthalazin-1-yl]piperidin-4-ol Openeye Name: 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-(trifluoromethyl)phthalazin-1-yl]piperidin-4-ol CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-(trifluoromethyl)-1-phthalazinyl]-4-piperidinol IUPAC Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-(trifluoromethyl)phthalazin-1-yl]piperidin-4-ol Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-(trifluoromethyl)phthalazin-1-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=C(C3=C2C=C(C=C3)C(F)(F)F)N4CCC(CC4)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C(F)(F)F)N4CCC(CC4)O)Cl

InChI

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