1-(azepan-1-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-1-one Openeye Name: 1-(azepan-1-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-1-one CAS Name: 1-(1-azepanyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-(azepan-1-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-1-one Formula: C14H22N4O3 MolecularWeight: 294.34948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)N2CCCCCC2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)N2CCCCCC2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H22N4O3/c1-10-13(18(20)21)11(2)17(15-10)12(3)14(19)16-8-6-4-5-7-9-16/h12H,4-9H2,1-3H3