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

Systemtic Name: 2-(phenylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-benzyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phthalazin-1-one Formula: C27H23F3N4O2 MolecularWeight: 492.49233

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

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