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

Systemtic Name: 7-[4-(3-methoxyphenyl)piperazin-1-yl]-4-nitro-N-pyridin-2-yl-2,1,3-benzoxadiazol-5-amine Openeye Name: 7-[4-(3-methoxyphenyl)piperazin-1-yl]-4-nitro-N-(2-pyridyl)-2,1,3-benzoxadiazol-5-amine CAS Name: 7-[4-(3-methoxyphenyl)-1-piperazinyl]-4-nitro-N-(2-pyridinyl)-2,1,3-benzoxadiazol-5-amine IUPAC Name: 7-[4-(3-methoxyphenyl)piperazin-1-yl]-4-nitro-N-pyridin-2-yl-2,1,3-benzoxadiazol-5-amine Traditional Name: [7-[4-(3-methoxyphenyl)piperazino]-4-nitro-benzofurazan-5-yl]-(2-pyridyl)amine Formula: C22H21N7O4 MolecularWeight: 447.44664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NC5=CC=CC=N5

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NC5=CC=CC=N5

InChI

InChI=1S/C22H21N7O4/c1-32-16-6-4-5-15(13-16)27-9-11-28(12-10-27)18-14-17(24-19-7-2-3-8-23-19)22(29(30)31)21-20(18)25-33-26-21/h2-8,13-14H,9-12H2,1H3,(H,23,24)