1-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]azepane

Systemtic Name: 1-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]azepane Openeye Name: 1-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]azepane CAS Name: 1-[4-(chloromethyl)-2,5-dimethyl-3-pyrazolyl]azepane IUPAC Name: 1-[4-(chloromethyl)-2,5-dimethylpyrazol-3-yl]azepane Traditional Name: 1-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]azepane Formula: C12H20ClN3 MolecularWeight: 241.7603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCl)N2CCCCCC2)C

Isomeric SMILES

CC1=NN(C(=C1CCl)N2CCCCCC2)C

InChI

InChI=1S/C12H20ClN3/c1-10-11(9-13)12(15(2)14-10)16-7-5-3-4-6-8-16/h3-9H2,1-2H3