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

Systemtic Name: N7-butyl-4-nitro-N7-(phenylmethyl)-N5-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7-benzyl-N7-butyl-4-nitro-N5-(2-pyridyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-butyl-4-nitro-N7-(phenylmethyl)-N5-(2-pyridinyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 7-N-benzyl-7-N-butyl-4-nitro-5-N-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: benzyl-butyl-[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]amine Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

InChI

InChI=1S/C22H22N6O3/c1-2-3-13-27(15-16-9-5-4-6-10-16)18-14-17(24-19-11-7-8-12-23-19)22(28(29)30)21-20(18)25-31-26-21/h4-12,14H,2-3,13,15H2,1H3,(H,23,24)