7-azanyl-2-(4-fluorophenyl)-4-[3-(trifluoromethyloxy)phenyl]phthalazin-1-one

Systemtic Name: 7-azanyl-2-(4-fluorophenyl)-4-[3-(trifluoromethyloxy)phenyl]phthalazin-1-one Openeye Name: 7-amino-2-(4-fluorophenyl)-4-[3-(trifluoromethoxy)phenyl]phthalazin-1-one CAS Name: 7-amino-2-(4-fluorophenyl)-4-[3-(trifluoromethoxy)phenyl]-1-phthalazinone IUPAC Name: 7-amino-2-(4-fluorophenyl)-4-[3-(trifluoromethoxy)phenyl]phthalazin-1-one Traditional Name: 7-amino-2-(4-fluorophenyl)-4-[3-(trifluoromethoxy)phenyl]phthalazin-1-one Formula: C21H13F4N3O2 MolecularWeight: 415.340433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(F)(F)F)C2=NN(C(=O)C3=C2C=CC(=C3)N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=CC(=C1)OC(F)(F)F)C2=NN(C(=O)C3=C2C=CC(=C3)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H13F4N3O2/c22-13-4-7-15(8-5-13)28-20(29)18-11-14(26)6-9-17(18)19(27-28)12-2-1-3-16(10-12)30-21(23,24)25/h1-11H,26H2