[(5S,7R)-3-(3-bromanyl-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [(5S,7R)-3-(3-bromanyl-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-yl-methanone Openeye Name: [(5S,7R)-3-(3-bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-yl-methanone CAS Name: [(5S,7R)-3-(3-bromo-1,2,4-triazol-1-yl)-1-adamantyl]-(1-pyrrolidinyl)methanone IUPAC Name: [(5S,7R)-3-(3-bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidin-1-ylmethanone Traditional Name: [(5S,7R)-3-(3-bromo-1,2,4-triazol-1-yl)-1-adamantyl]-pyrrolidino-methanone Formula: C17H23BrN4O MolecularWeight: 379.29472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

Isomeric SMILES

C1CCN(C1)C(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)N5C=NC(=N5)Br

InChI

InChI=1S/C17H23BrN4O/c18-15-19-11-22(20-15)17-8-12-5-13(9-17)7-16(6-12,10-17)14(23)21-3-1-2-4-21/h11-13H,1-10H2/t12-,13+,16?,17?