3-(4-bromanylpyrazol-1-yl)-2-methyl-N-octadecyl-propanamide

Systemtic Name: 3-(4-bromanylpyrazol-1-yl)-2-methyl-N-octadecyl-propanamide Openeye Name: 3-(4-bromopyrazol-1-yl)-2-methyl-N-octadecyl-propanamide CAS Name: 3-(4-bromo-1-pyrazolyl)-2-methyl-N-octadecylpropanamide IUPAC Name: 3-(4-bromopyrazol-1-yl)-2-methyl-N-octadecylpropanamide Traditional Name: 3-(4-bromopyrazol-1-yl)-2-methyl-N-stearyl-propionamide Formula: C25H46BrN3O MolecularWeight: 484.55624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(C)CN1C=C(C=N1)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C(C)CN1C=C(C=N1)Br

InChI

InChI=1S/C25H46BrN3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-25(30)23(2)21-29-22-24(26)20-28-29/h20,22-23H,3-19,21H2,1-2H3,(H,27,30)