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

Systemtic Name: 5-[1-(phenylcarbonyl)piperidin-4-yl]-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-(1-benzoyl-4-piperidyl)-3-benzyl-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-(1-benzoyl-4-piperidinyl)-3-(phenylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-(1-benzoylpiperidin-4-yl)-3-benzyl-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-(1-benzoyl-4-piperidyl)-3-benzyl-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C23H22N6O2 MolecularWeight: 414.45978

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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=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6O2/c30-22-19-21(29(27-26-19)15-16-7-3-1-4-8-16)24-20(25-22)17-11-13-28(14-12-17)23(31)18-9-5-2-6-10-18/h1-10,17,27H,11-15H2