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

Systemtic Name: 4-[4-(2-methyl-1,3-dihydro-1,2,3,4-tetrazol-5-yl)phenyl]butan-2-one Openeye Name: 4-[4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]butan-2-one CAS Name: 4-[4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]-2-butanone IUPAC Name: 4-[4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]butan-2-one Traditional Name: 4-[4-(2-methyl-1,3-dihydrotetrazol-5-yl)phenyl]butan-2-one Formula: C12H16N4O MolecularWeight: 232.28164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)C2=NNN(N2)C

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)C2=NNN(N2)C

InChI

InChI=1S/C12H16N4O/c1-9(17)3-4-10-5-7-11(8-6-10)12-13-15-16(2)14-12/h5-8,15H,3-4H2,1-2H3,(H,13,14)