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

Systemtic Name: 4-phenyl-2-[3-(trifluoromethyl)phenyl]phthalazin-1-one Openeye Name: 4-phenyl-2-[3-(trifluoromethyl)phenyl]phthalazin-1-one CAS Name: 4-phenyl-2-[3-(trifluoromethyl)phenyl]-1-phthalazinone IUPAC Name: 4-phenyl-2-[3-(trifluoromethyl)phenyl]phthalazin-1-one Traditional Name: 4-phenyl-2-[3-(trifluoromethyl)phenyl]phthalazin-1-one Formula: C21H13F3N2O MolecularWeight: 366.33593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H13F3N2O/c22-21(23,24)15-9-6-10-16(13-15)26-20(27)18-12-5-4-11-17(18)19(25-26)14-7-2-1-3-8-14/h1-13H