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

Systemtic Name: 2-phenyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-phenyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]methyl]-2-phenyl-1-phthalazinone IUPAC Name: 2-phenyl-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-carbonyl]phthalazin-1-one Traditional Name: 2-phenyl-4-[4-[4-(trifluoromethyl)benzyl]piperazin-4-ium-1-carbonyl]phthalazin-1-one Formula: C27H24F3N4O2+ MolecularWeight: 493.50027

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H23F3N4O2/c28-27(29,30)20-12-10-19(11-13-20)18-32-14-16-33(17-15-32)26(36)24-22-8-4-5-9-23(22)25(35)34(31-24)21-6-2-1-3-7-21/h1-13H,14-18H2/p+1