3-(3-chloranyl-1,2,4-triazol-1-yl)-N-(2-ethanoyl-4,5-dimethoxy-phenyl)adamantane-1-carboxamide

Systemtic Name: 3-(3-chloranyl-1,2,4-triazol-1-yl)-N-(2-ethanoyl-4,5-dimethoxy-phenyl)adamantane-1-carboxamide Openeye Name: N-(2-acetyl-4,5-dimethoxy-phenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-(2-acetyl-4,5-dimethoxyphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-(2-acetyl-4,5-dimethoxyphenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-(2-acetyl-4,5-dimethoxy-phenyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C23H27ClN4O4 MolecularWeight: 458.93788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl)OC)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl)OC)OC

InChI

InChI=1S/C23H27ClN4O4/c1-13(29)16-5-18(31-2)19(32-3)6-17(16)26-20(30)22-7-14-4-15(8-22)10-23(9-14,11-22)28-12-25-21(24)27-28/h5-6,12,14-15H,4,7-11H2,1-3H3,(H,26,30)