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

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-octadecyl-pyrazole-3-carboxamide Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-octadecyl-pyrazole-3-carboxamide CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-octadecyl-3-pyrazolecarboxamide IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-octadecylpyrazole-3-carboxamide Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-stearyl-pyrazole-3-carboxamide Formula: C28H48N6O3 MolecularWeight: 516.71912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H48N6O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-29-28(35)26-20-22-32(31-26)23-33-25(3)27(34(36)37)24(2)30-33/h20,22H,4-19,21,23H2,1-3H3,(H,29,35)