5-(azepan-1-yl)-7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole

Systemtic Name: 5-(azepan-1-yl)-7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole Openeye Name: 5-(azepan-1-yl)-7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole CAS Name: 5-(1-azepanyl)-7-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-nitro-2,1,3-benzoxadiazole IUPAC Name: 5-(azepan-1-yl)-7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole Traditional Name: 5-(azepan-1-yl)-7-[4-(2,3-dimethylphenyl)piperazino]-4-nitro-benzofurazan Formula: C24H30N6O3 MolecularWeight: 450.5334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCCCCC5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])N5CCCCCC5)C

InChI

InChI=1S/C24H30N6O3/c1-17-8-7-9-19(18(17)2)28-12-14-29(15-13-28)20-16-21(27-10-5-3-4-6-11-27)24(30(31)32)23-22(20)25-33-26-23/h7-9,16H,3-6,10-15H2,1-2H3