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

Systemtic Name: 3-[(3-chlorophenyl)methyl]-5-[1-(4-methylphenyl)carbonylpiperidin-3-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(3-chlorophenyl)methyl]-5-[1-(4-methylbenzoyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(3-chlorophenyl)methyl]-5-[1-[(4-methylphenyl)-oxomethyl]-3-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(3-chlorophenyl)methyl]-5-[1-(4-methylbenzoyl)piperidin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(3-chlorobenzyl)-5-(1-p-toluoyl-3-piperidyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C24H23ClN6O2 MolecularWeight: 462.93142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C24H23ClN6O2/c1-15-7-9-17(10-8-15)24(33)30-11-3-5-18(14-30)21-26-22-20(23(32)27-21)28-29-31(22)13-16-4-2-6-19(25)12-16/h2,4,6-10,12,18,29H,3,5,11,13-14H2,1H3