1-[3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]heptan-1-one

Systemtic Name: 1-[3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]heptan-1-one Openeye Name: 1-[3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]heptan-1-one CAS Name: 1-[3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]-1-heptanone IUPAC Name: 1-[3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]heptan-1-one Traditional Name: 1-[3-butoxy-5-(2-fluorophenyl)-1,2,4-triazol-1-yl]heptan-1-one Formula: C19H26FN3O2 MolecularWeight: 347.427043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1C(=NC(=N1)OCCCC)C2=CC=CC=C2F

Isomeric SMILES

CCCCCCC(=O)N1C(=NC(=N1)OCCCC)C2=CC=CC=C2F

InChI

InChI=1S/C19H26FN3O2/c1-3-5-7-8-13-17(24)23-18(15-11-9-10-12-16(15)20)21-19(22-23)25-14-6-4-2/h9-12H,3-8,13-14H2,1-2H3