4-[3-fluoranyl-4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-3-methyl-butan-2-one

Systemtic Name: 4-[3-fluoranyl-4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-3-methyl-butan-2-one Openeye Name: 4-[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]-3-methyl-butan-2-one CAS Name: 4-[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]-3-methyl-2-butanone IUPAC Name: 4-[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]-3-methylbutan-2-one Traditional Name: 4-[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]-3-methyl-butan-2-one Formula: C12H13FN4O MolecularWeight: 248.256223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)C2=NNN=N2)F)C(=O)C

Isomeric SMILES

CC(CC1=CC(=C(C=C1)C2=NNN=N2)F)C(=O)C

InChI

InChI=1S/C12H13FN4O/c1-7(8(2)18)5-9-3-4-10(11(13)6-9)12-14-16-17-15-12/h3-4,6-7H,5H2,1-2H3,(H,14,15,16,17)