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

Systemtic Name: 5-[1-(4-bromophenyl)carbonylpiperidin-3-yl]-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-benzyl-5-[1-(4-bromobenzoyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-[(4-bromophenyl)-oxomethyl]-3-piperidinyl]-3-(phenylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-benzyl-5-[1-(4-bromobenzoyl)piperidin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-benzyl-5-[1-(4-bromobenzoyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C23H21BrN6O2 MolecularWeight: 493.35584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Br)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Br)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5

InChI

InChI=1S/C23H21BrN6O2/c24-18-10-8-16(9-11-18)23(32)29-12-4-7-17(14-29)20-25-21-19(22(31)26-20)27-28-30(21)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17,28H,4,7,12-14H2