4-nitro-N7-phenethyl-N7-(phenylmethyl)-N5-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine

Systemtic Name: 4-nitro-N7-phenethyl-N7-(phenylmethyl)-N5-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7-benzyl-4-nitro-N7-phenethyl-N5-(2-pyridyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: 4-nitro-N7-phenethyl-N7-(phenylmethyl)-N5-(2-pyridinyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 7-N-benzyl-4-nitro-7-N-phenethyl-5-N-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: benzyl-[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]-phenethyl-amine Formula: C26H22N6O3 MolecularWeight: 466.49128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NC5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NC5=CC=CC=N5

InChI

InChI=1S/C26H22N6O3/c33-32(34)26-21(28-23-13-7-8-15-27-23)17-22(24-25(26)30-35-29-24)31(18-20-11-5-2-6-12-20)16-14-19-9-3-1-4-10-19/h1-13,15,17H,14,16,18H2,(H,27,28)