5-[1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidin-3-yl]-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-[1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidin-3-yl]-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-benzyl-5-[1-(2,4-difluorobenzoyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-[(2,4-difluorophenyl)-oxomethyl]-3-piperidinyl]-3-(phenylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-benzyl-5-[1-(2,4-difluorobenzoyl)piperidin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-benzyl-5-[1-(2,4-difluorobenzoyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C23H20F2N6O2 MolecularWeight: 450.440706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C(C=C(C=C2)F)F)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=C(C=C(C=C2)F)F)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5

InChI

InChI=1S/C23H20F2N6O2/c24-16-8-9-17(18(25)11-16)23(33)30-10-4-7-15(13-30)20-26-21-19(22(32)27-20)28-29-31(21)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15,29H,4,7,10,12-13H2