4-[[[3-(trifluoromethyl)phenyl]amino]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[[3-(trifluoromethyl)phenyl]amino]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-(trifluoromethyl)anilino]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-(trifluoromethyl)anilino]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-(trifluoromethyl)anilino]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[3-(trifluoromethyl)anilino]methyl]-2H-phthalazin-1-one Formula: C16H12F3N3O MolecularWeight: 319.28119

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F3N3O/c17-16(18,19)10-4-3-5-11(8-10)20-9-14-12-6-1-2-7-13(12)15(23)22-21-14/h1-8,20H,9H2,(H,22,23)