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

Systemtic Name: 3-[(2-chlorophenyl)methyl]-5-[1-(phenylcarbonyl)piperidin-4-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-(1-benzoyl-4-piperidyl)-3-[(2-chlorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-(1-benzoyl-4-piperidinyl)-3-[(2-chlorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-(1-benzoylpiperidin-4-yl)-3-[(2-chlorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-(1-benzoyl-4-piperidyl)-3-(2-chlorobenzyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C23H21ClN6O2 MolecularWeight: 448.90484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4Cl)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4Cl)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H21ClN6O2/c24-18-9-5-4-8-17(18)14-30-21-19(27-28-30)22(31)26-20(25-21)15-10-12-29(13-11-15)23(32)16-6-2-1-3-7-16/h1-9,15,28H,10-14H2