1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-hexyl-pyrazole-3-carboxamide

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-hexyl-pyrazole-3-carboxamide Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-hexyl-pyrazole-3-carboxamide CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-hexyl-3-pyrazolecarboxamide IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-hexylpyrazole-3-carboxamide Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-hexyl-pyrazole-3-carboxamide Formula: C16H24N6O3 MolecularWeight: 348.40016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=NN(C=C1)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCNC(=O)C1=NN(C=C1)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H24N6O3/c1-4-5-6-7-9-17-16(23)14-8-10-20(19-14)11-21-13(3)15(22(24)25)12(2)18-21/h8,10H,4-7,9,11H2,1-3H3,(H,17,23)