2-(7-chloranyl-2,5-dideuterio-4H-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-10-ium-4-yl)-N,2,2-trideuterio-N-(4-deuteriooxyphenyl)ethanamide

Systemtic Name: 2-(7-chloranyl-2,5-dideuterio-4H-[1,2,3,4]tetrazolo[1,5-a]quinoxalin-10-ium-4-yl)-N,2,2-trideuterio-N-(4-deuteriooxyphenyl)ethanamide Openeye Name: 2-(7-chloro-2,5-dideuterio-4H-tetrazolo[1,5-a]quinoxalin-10-ium-4-yl)-N,2,2-trideuterio-N-(4-deuteriooxyphenyl)acetamide CAS Name: 2-(7-chloro-2,5-dideuterio-4H-tetrazolo[1,5-a]quinoxalin-10-ium-4-yl)-N,2,2-trideuterio-N-(4-deuteriooxyphenyl)acetamide IUPAC Name: 2-(7-chloro-2,5-dideuterio-4H-tetrazolo[1,5-a]quinoxalin-10-ium-4-yl)-N,2,2-trideuterio-N-(4-deuteriooxyphenyl)acetamide Traditional Name: 2-(7-chloro-2,5-dideuterio-4H-tetrazolo[1,5-a]quinoxalin-10-ium-4-yl)-N,2,2-trideuterio-N-(4-deuteriooxyphenyl)acetamide Formula: C16H14ClN6O2+ MolecularWeight: 363.811331

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CC2C3=NNN=[N+]3C4=C(N2)C=C(C=C4)Cl)O

Isomeric SMILES

[2H]C([2H])(C1C2=NN(N=[N+]2C3=C(N1[2H])C=C(C=C3)Cl)[2H])C(=O)N([2H])C4=CC=C(C=C4)O[2H]

InChI

InChI=1S/C16H13ClN6O2/c17-9-1-6-14-12(7-9)19-13(16-20-21-22-23(14)16)8-15(25)18-10-2-4-11(24)5-3-10/h1-7,13,19H,8H2,(H2,18,21,22,24,25)/p+1/i8D2/hD4