4-(4-methylphenyl)-8-(trifluoromethyl)-2H-phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-8-(trifluoromethyl)-2H-phthalazin-1-one Openeye Name: 4-(p-tolyl)-8-(trifluoromethyl)-2H-phthalazin-1-one CAS Name: 4-(4-methylphenyl)-8-(trifluoromethyl)-2H-phthalazin-1-one IUPAC Name: 4-(4-methylphenyl)-8-(trifluoromethyl)-2H-phthalazin-1-one Traditional Name: 4-(p-tolyl)-8-(trifluoromethyl)-2H-phthalazin-1-one Formula: C16H11F3N2O MolecularWeight: 304.26655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=O)C3=C2C=CC=C3C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=O)C3=C2C=CC=C3C(F)(F)F

InChI

InChI=1S/C16H11F3N2O/c1-9-5-7-10(8-6-9)14-11-3-2-4-12(16(17,18)19)13(11)15(22)21-20-14/h2-8H,1H3,(H,21,22)