N-[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]-N',N'-dimethyl-propane-1,3-diamine

Systemtic Name: N-[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]-N',N'-dimethyl-propane-1,3-diamine Openeye Name: N-[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]-N',N'-dimethyl-propane-1,3-diamine CAS Name: N-[5-(1-azepanyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]-N',N'-dimethylpropane-1,3-diamine IUPAC Name: N-[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]-N',N'-dimethylpropane-1,3-diamine Traditional Name: 3-[[6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]amino]propyl-dimethyl-amine Formula: C17H26N6O3 MolecularWeight: 362.42674

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CN(C)CCCNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C17H26N6O3/c1-21(2)9-7-8-18-13-12-14(22-10-5-3-4-6-11-22)17(23(24)25)16-15(13)19-26-20-16/h12,18H,3-11H2,1-2H3