N-(5-bromanylquinolin-8-yl)-3-(3-chloranyl-1,2,4-triazol-1-yl)adamantane-1-carboxamide

Systemtic Name: N-(5-bromanylquinolin-8-yl)-3-(3-chloranyl-1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: N-(5-bromo-8-quinolyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-(5-bromo-8-quinolinyl)-3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-(5-bromoquinolin-8-yl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-(5-bromo-8-quinolyl)-3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C22H21BrClN5O MolecularWeight: 486.79204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Cl)C(=O)NC5=C6C(=C(C=C5)Br)C=CC=N6

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Cl)C(=O)NC5=C6C(=C(C=C5)Br)C=CC=N6

InChI

InChI=1S/C22H21BrClN5O/c23-16-3-4-17(18-15(16)2-1-5-25-18)27-19(30)21-7-13-6-14(8-21)10-22(9-13,11-21)29-12-26-20(24)28-29/h1-5,12-14H,6-11H2,(H,27,30)