1-adamantyl-[5-(2-fluorophenyl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]methanone

Systemtic Name: 1-adamantyl-[5-(2-fluorophenyl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]methanone Openeye Name: 1-adamantyl-[5-(2-fluorophenyl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]methanone CAS Name: 1-adamantyl-[5-(2-fluorophenyl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]methanone IUPAC Name: 1-adamantyl-[5-(2-fluorophenyl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]methanone Traditional Name: 1-adamantyl-[5-(2-fluorophenyl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]methanone Formula: C22H26FN3O3 MolecularWeight: 399.458543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NN(C(=N1)C2=CC=CC=C2F)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COCCOC1=NN(C(=N1)C2=CC=CC=C2F)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26FN3O3/c1-28-6-7-29-21-24-19(17-4-2-3-5-18(17)23)26(25-21)20(27)22-11-14-8-15(12-22)10-16(9-14)13-22/h2-5,14-16H,6-13H2,1H3