N-butan-2-yl-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-butan-2-yl-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-sec-butyl-pyrazole-3-carboxamide CAS Name: N-butan-2-yl-1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-butan-2-yl-1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-sec-butyl-pyrazole-3-carboxamide Formula: C14H20N6O3 MolecularWeight: 320.347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N6O3/c1-5-9(2)15-14(21)12-6-7-18(17-12)8-19-11(4)13(20(22)23)10(3)16-19/h6-7,9H,5,8H2,1-4H3,(H,15,21)