(5S,7R)-3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-(3-bromo-1,2,4-triazol-1-yl)-N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-(3-bromo-1,2,4-triazol-1-yl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-(3-bromo-1,2,4-triazol-1-yl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-(3-bromo-1,2,4-triazol-1-yl)-N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)adamantane-1-carboxamide Formula: C23H29BrN4O2 MolecularWeight: 473.40596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(C)C)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(C)C)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)N5C=NC(=N5)Br

InChI

InChI=1S/C23H29BrN4O2/c1-13(2)17-6-18(14(3)4-19(17)29)26-20(30)22-7-15-5-16(8-22)10-23(9-15,11-22)28-12-25-21(24)27-28/h4,6,12-13,15-16,29H,5,7-11H2,1-3H3,(H,26,30)/t15-,16+,22?,23?