5-[1-[2,6-bis(fluoranyl)phenyl]carbonylpiperidin-3-yl]-3-[(3-chlorophenyl)methyl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-[1-[2,6-bis(fluoranyl)phenyl]carbonylpiperidin-3-yl]-3-[(3-chlorophenyl)methyl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(3-chlorophenyl)methyl]-5-[1-(2,6-difluorobenzoyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(3-chlorophenyl)methyl]-5-[1-[(2,6-difluorophenyl)-oxomethyl]-3-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(3-chlorophenyl)methyl]-5-[1-(2,6-difluorobenzoyl)piperidin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(3-chlorobenzyl)-5-[1-(2,6-difluorobenzoyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C23H19ClF2N6O2 MolecularWeight: 484.885766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C(C=CC=C2F)F)C3=NC(=O)C4=NNN(C4=N3)CC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=C(C=CC=C2F)F)C3=NC(=O)C4=NNN(C4=N3)CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C23H19ClF2N6O2/c24-15-6-1-4-13(10-15)11-32-21-19(29-30-32)22(33)28-20(27-21)14-5-3-9-31(12-14)23(34)18-16(25)7-2-8-17(18)26/h1-2,4,6-8,10,14,30H,3,5,9,11-12H2