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

Systemtic Name: 5-[1-(4-chlorophenyl)carbonylpiperidin-4-yl]-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-benzyl-5-[1-(4-chlorobenzoyl)-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-[(4-chlorophenyl)-oxomethyl]-4-piperidinyl]-3-(phenylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-benzyl-5-[1-(4-chlorobenzoyl)piperidin-4-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-benzyl-5-[1-(4-chlorobenzoyl)-4-piperidyl]-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=C4)C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

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

InChI

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