4-nitro-7-[4-(phenylmethyl)piperidin-1-yl]-N-pyridin-2-yl-2,1,3-benzoxadiazol-5-amine

Systemtic Name: 4-nitro-7-[4-(phenylmethyl)piperidin-1-yl]-N-pyridin-2-yl-2,1,3-benzoxadiazol-5-amine Openeye Name: 7-(4-benzyl-1-piperidyl)-4-nitro-N-(2-pyridyl)-2,1,3-benzoxadiazol-5-amine CAS Name: 4-nitro-7-[4-(phenylmethyl)-1-piperidinyl]-N-(2-pyridinyl)-2,1,3-benzoxadiazol-5-amine IUPAC Name: 7-(4-benzylpiperidin-1-yl)-4-nitro-N-pyridin-2-yl-2,1,3-benzoxadiazol-5-amine Traditional Name: [7-(4-benzylpiperidino)-4-nitro-benzofurazan-5-yl]-(2-pyridyl)amine Formula: C23H22N6O3 MolecularWeight: 430.45918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NC5=CC=CC=N5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NC5=CC=CC=N5

InChI

InChI=1S/C23H22N6O3/c30-29(31)23-18(25-20-8-4-5-11-24-20)15-19(21-22(23)27-32-26-21)28-12-9-17(10-13-28)14-16-6-2-1-3-7-16/h1-8,11,15,17H,9-10,12-14H2,(H,24,25)