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

Systemtic Name: 2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-2-phenyl-1-phthalazinone IUPAC Name: 2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-phenyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phthalazin-1-one Formula: C26H21F3N4O2 MolecularWeight: 478.46575

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H21F3N4O2/c27-26(28,29)18-7-6-10-20(17-18)31-13-15-32(16-14-31)25(35)23-21-11-4-5-12-22(21)24(34)33(30-23)19-8-2-1-3-9-19/h1-12,17H,13-16H2