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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

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