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

Systemtic Name: 5-[1-(3-fluorophenyl)carbonylpiperidin-3-yl]-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-benzyl-5-[1-(3-fluorobenzoyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-[(3-fluorophenyl)-oxomethyl]-3-piperidinyl]-3-(phenylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-benzyl-5-[1-(3-fluorobenzoyl)piperidin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-benzyl-5-[1-(3-fluorobenzoyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C23H21FN6O2 MolecularWeight: 432.450243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN6O2/c24-18-10-4-8-16(12-18)23(32)29-11-5-9-17(14-29)20-25-21-19(22(31)26-20)27-28-30(21)13-15-6-2-1-3-7-15/h1-4,6-8,10,12,17,28H,5,9,11,13-14H2