2-(4-azanylpyrazol-1-yl)-1-(azepan-1-yl)propan-1-one

Systemtic Name: 2-(4-azanylpyrazol-1-yl)-1-(azepan-1-yl)propan-1-one Openeye Name: 2-(4-aminopyrazol-1-yl)-1-(azepan-1-yl)propan-1-one CAS Name: 2-(4-amino-1-pyrazolyl)-1-(1-azepanyl)-1-propanone IUPAC Name: 2-(4-aminopyrazol-1-yl)-1-(azepan-1-yl)propan-1-one Traditional Name: 2-(4-aminopyrazol-1-yl)-1-(azepan-1-yl)propan-1-one Formula: C12H20N4O MolecularWeight: 236.3134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)N2C=C(C=N2)N

Isomeric SMILES

CC(C(=O)N1CCCCCC1)N2C=C(C=N2)N

InChI

InChI=1S/C12H20N4O/c1-10(16-9-11(13)8-14-16)12(17)15-6-4-2-3-5-7-15/h8-10H,2-7,13H2,1H3