6-(azepan-1-yl)-4-(diethoxyphosphorylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione

Systemtic Name: 6-(azepan-1-yl)-4-(diethoxyphosphorylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione Openeye Name: 6-(azepan-1-yl)-4-(diethoxyphosphorylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione CAS Name: 6-(1-azepanyl)-4-(diethoxyphosphorylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione IUPAC Name: 6-(azepan-1-yl)-4-(diethoxyphosphorylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione Traditional Name: 6-(azepan-1-yl)-4-(diethoxyphosphorylmethyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-quinone Formula: C20H27F3N3O5P MolecularWeight: 477.414451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CN1C2=C(C=C(C(=C2)N3CCCCCC3)C(F)(F)F)NC(=O)C1=O)OCC

Isomeric SMILES

CCOP(=O)(CN1C2=C(C=C(C(=C2)N3CCCCCC3)C(F)(F)F)NC(=O)C1=O)OCC

InChI

InChI=1S/C20H27F3N3O5P/c1-3-30-32(29,31-4-2)13-26-17-12-16(25-9-7-5-6-8-10-25)14(20(21,22)23)11-15(17)24-18(27)19(26)28/h11-12H,3-10,13H2,1-2H3,(H,24,27)