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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4)C(=O)C5=C(C=C(C=C5)F)F

Isomeric SMILES

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4)C(=O)C5=C(C=C(C=C5)F)F

InChI

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