5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-octadecyl-furan-2-carboxamide

Systemtic Name: 5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-octadecyl-furan-2-carboxamide Openeye Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-octadecyl-furan-2-carboxamide CAS Name: 5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-octadecyl-2-furancarboxamide IUPAC Name: 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-octadecylfuran-2-carboxamide Traditional Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-stearyl-2-furamide Formula: C29H48BrN3O2 MolecularWeight: 550.61432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=C(O1)CN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=C(O1)CN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C29H48BrN3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31-29(34)27-21-20-26(35-27)23-33-25(3)28(30)24(2)32-33/h20-21H,4-19,22-23H2,1-3H3,(H,31,34)