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

Systemtic Name: 3-[(2-chlorophenyl)methyl]-5-[1-(3-methoxyphenyl)carbonylpiperidin-3-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(2-chlorophenyl)methyl]-5-[1-(3-methoxybenzoyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(2-chlorophenyl)methyl]-5-[1-[(3-methoxyphenyl)-oxomethyl]-3-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(2-chlorophenyl)methyl]-5-[1-(3-methoxybenzoyl)piperidin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(2-chlorobenzyl)-5-(1-m-anisoyl-3-piperidyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C24H23ClN6O3 MolecularWeight: 478.93082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCC(C2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCC(C2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5Cl

InChI

InChI=1S/C24H23ClN6O3/c1-34-18-9-4-7-15(12-18)24(33)30-11-5-8-17(13-30)21-26-22-20(23(32)27-21)28-29-31(22)14-16-6-2-3-10-19(16)25/h2-4,6-7,9-10,12,17,29H,5,8,11,13-14H2,1H3