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

Systemtic Name: 1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-octadecyl-pyrazole-3-carboxamide Openeye Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-octadecyl-pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-octadecyl-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-octadecylpyrazole-3-carboxamide Traditional Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-stearyl-pyrazole-3-carboxamide Formula: C28H48BrN5O MolecularWeight: 550.61762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=NN(C=C1)CN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=NN(C=C1)CN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C28H48BrN5O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-30-28(35)26-20-22-33(32-26)23-34-25(3)27(29)24(2)31-34/h20,22H,4-19,21,23H2,1-3H3,(H,30,35)