3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-octadecyl-propanamide

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-octadecyl-propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-octadecyl-propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-octadecylpropanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-octadecylpropanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-stearyl-propionamide Formula: C26H48BrN3O MolecularWeight: 498.58282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)CCN1C(=C(C(=N1)C)Br)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)CCN1C(=C(C(=N1)C)Br)C

InChI

InChI=1S/C26H48BrN3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-28-25(31)20-22-30-24(3)26(27)23(2)29-30/h4-22H2,1-3H3,(H,28,31)