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

Systemtic Name: 2-(2-imidazol-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]phthalazin-1-one Openeye Name: 2-(2-imidazol-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]phthalazin-1-one CAS Name: 2-[2-(1-imidazolyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1-phthalazinone IUPAC Name: 2-(2-imidazol-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]phthalazin-1-one Traditional Name: 2-(2-imidazol-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]phthalazin-1-one Formula: C20H15F3N4O MolecularWeight: 384.35451

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C=CN=C3)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C=CN=C3)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C20H15F3N4O/c21-20(22,23)15-5-3-4-14(12-15)18-16-6-1-2-7-17(16)19(28)27(25-18)11-10-26-9-8-24-13-26/h1-9,12-13H,10-11H2