1-(azepan-1-yl)-2-[3,4,5-tris(bromanyl)pyrazol-1-yl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[3,4,5-tris(bromanyl)pyrazol-1-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-2-(3,4,5-tribromopyrazol-1-yl)propan-1-one CAS Name: 1-(1-azepanyl)-2-(3,4,5-tribromo-1-pyrazolyl)-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-(3,4,5-tribromopyrazol-1-yl)propan-1-one Traditional Name: 1-(azepan-1-yl)-2-(3,4,5-tribromopyrazol-1-yl)propan-1-one Formula: C12H16Br3N3O MolecularWeight: 457.98694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16Br3N3O/c1-8(18-11(15)9(13)10(14)16-18)12(19)17-6-4-2-3-5-7-17/h8H,2-7H2,1H3