4-[[[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]amino]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]amino]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]anilino]methyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]anilino]methyl]-2H-phthalazin-1-one Formula: C21H14ClF3N4O2 MolecularWeight: 446.80967

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CNC3=CC=C(C=C3)OC4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CNC3=CC=C(C=C3)OC4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C21H14ClF3N4O2/c22-17-9-12(21(23,24)25)10-27-20(17)31-14-7-5-13(6-8-14)26-11-18-15-3-1-2-4-16(15)19(30)29-28-18/h1-10,26H,11H2,(H,29,30)