4-nitro-N-pyridin-2-yl-7-(2-pyridin-3-ylpiperidin-1-yl)-2,1,3-benzoxadiazol-5-amine

Systemtic Name: 4-nitro-N-pyridin-2-yl-7-(2-pyridin-3-ylpiperidin-1-yl)-2,1,3-benzoxadiazol-5-amine Openeye Name: 4-nitro-N-(2-pyridyl)-7-[2-(3-pyridyl)-1-piperidyl]-2,1,3-benzoxadiazol-5-amine CAS Name: 4-nitro-N-(2-pyridinyl)-7-[2-(3-pyridinyl)-1-piperidinyl]-2,1,3-benzoxadiazol-5-amine IUPAC Name: 4-nitro-N-pyridin-2-yl-7-(2-pyridin-3-ylpiperidin-1-yl)-2,1,3-benzoxadiazol-5-amine Traditional Name: [4-nitro-7-[2-(3-pyridyl)piperidino]benzofurazan-5-yl]-(2-pyridyl)amine Formula: C21H19N7O3 MolecularWeight: 417.42066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CN=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NC5=CC=CC=N5

Isomeric SMILES

C1CCN(C(C1)C2=CN=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NC5=CC=CC=N5

InChI

InChI=1S/C21H19N7O3/c29-28(30)21-15(24-18-8-1-3-10-23-18)12-17(19-20(21)26-31-25-19)27-11-4-2-7-16(27)14-6-5-9-22-13-14/h1,3,5-6,8-10,12-13,16H,2,4,7,11H2,(H,23,24)