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

Systemtic Name: 5-[1-(4-nitrophenyl)carbonylpiperidin-3-yl]-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-benzyl-5-[1-(4-nitrobenzoyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-[(4-nitrophenyl)-oxomethyl]-3-piperidinyl]-3-(phenylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-benzyl-5-[1-(4-nitrobenzoyl)piperidin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-benzyl-5-[1-(4-nitrobenzoyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C23H21N7O4 MolecularWeight: 459.45734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5

InChI

InChI=1S/C23H21N7O4/c31-22-19-21(29(27-26-19)13-15-5-2-1-3-6-15)24-20(25-22)17-7-4-12-28(14-17)23(32)16-8-10-18(11-9-16)30(33)34/h1-3,5-6,8-11,17,27H,4,7,12-14H2