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

Systemtic Name: 5-[1-(3-chlorophenyl)carbonylpiperidin-3-yl]-3-[(4-methylphenyl)methyl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-[1-(3-chlorobenzoyl)-3-piperidyl]-3-(p-tolylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-[(3-chlorophenyl)-oxomethyl]-3-piperidinyl]-3-[(4-methylphenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-[1-(3-chlorobenzoyl)piperidin-3-yl]-3-[(4-methylphenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-[1-(3-chlorobenzoyl)-3-piperidyl]-3-(4-methylbenzyl)-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)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)C(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)C(=O)C5=CC(=CC=C5)Cl

InChI

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