N1-[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]-N4,N4-dimethyl-benzene-1,4-diamine

Systemtic Name: N1-[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]-N4,N4-dimethyl-benzene-1,4-diamine Openeye Name: N1-[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]-N4,N4-dimethyl-benzene-1,4-diamine CAS Name: N1-[5-(1-azepanyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]-N4,N4-dimethylbenzene-1,4-diamine IUPAC Name: 1-N-[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]-4-N,4-N-dimethylbenzene-1,4-diamine Traditional Name: [4-[[6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]amino]phenyl]-dimethyl-amine Formula: C20H24N6O3 MolecularWeight: 396.44296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4

InChI

InChI=1S/C20H24N6O3/c1-24(2)15-9-7-14(8-10-15)21-16-13-17(25-11-5-3-4-6-12-25)20(26(27)28)19-18(16)22-29-23-19/h7-10,13,21H,3-6,11-12H2,1-2H3