1-(azepan-1-yl)-2-(4-bromanyl-3-methyl-pyrazol-1-yl)propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-(4-bromanyl-3-methyl-pyrazol-1-yl)propan-1-one Openeye Name: 1-(azepan-1-yl)-2-(4-bromo-3-methyl-pyrazol-1-yl)propan-1-one CAS Name: 1-(1-azepanyl)-2-(4-bromo-3-methyl-1-pyrazolyl)-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-(4-bromo-3-methylpyrazol-1-yl)propan-1-one Traditional Name: 1-(azepan-1-yl)-2-(4-bromo-3-methyl-pyrazol-1-yl)propan-1-one Formula: C13H20BrN3O MolecularWeight: 314.2214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)C(C)C(=O)N2CCCCCC2

Isomeric SMILES

CC1=NN(C=C1Br)C(C)C(=O)N2CCCCCC2

InChI

InChI=1S/C13H20BrN3O/c1-10-12(14)9-17(15-10)11(2)13(18)16-7-5-3-4-6-8-16/h9,11H,3-8H2,1-2H3