7-(azepan-1-yl)-4-nitro-N-(4-phenylphenyl)-2,1,3-benzoxadiazol-5-amine

Systemtic Name: 7-(azepan-1-yl)-4-nitro-N-(4-phenylphenyl)-2,1,3-benzoxadiazol-5-amine Openeye Name: 7-(azepan-1-yl)-4-nitro-N-(4-phenylphenyl)-2,1,3-benzoxadiazol-5-amine CAS Name: 7-(1-azepanyl)-4-nitro-N-(4-phenylphenyl)-2,1,3-benzoxadiazol-5-amine IUPAC Name: 7-(azepan-1-yl)-4-nitro-N-(4-phenylphenyl)-2,1,3-benzoxadiazol-5-amine Traditional Name: [7-(azepan-1-yl)-4-nitro-benzofurazan-5-yl]-(4-phenylphenyl)amine Formula: C24H23N5O3 MolecularWeight: 429.47112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H23N5O3/c30-29(31)24-20(25-19-12-10-18(11-13-19)17-8-4-3-5-9-17)16-21(22-23(24)27-32-26-22)28-14-6-1-2-7-15-28/h3-5,8-13,16,25H,1-2,6-7,14-15H2