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

Systemtic Name: 3-(4-bromanyl-5-methyl-pyrazol-1-yl)-N-octadecyl-propanamide Openeye Name: 3-(4-bromo-5-methyl-pyrazol-1-yl)-N-octadecyl-propanamide CAS Name: 3-(4-bromo-5-methyl-1-pyrazolyl)-N-octadecylpropanamide IUPAC Name: 3-(4-bromo-5-methylpyrazol-1-yl)-N-octadecylpropanamide Traditional Name: 3-(4-bromo-5-methyl-pyrazol-1-yl)-N-stearyl-propionamide Formula: C25H46BrN3O MolecularWeight: 484.55624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H46BrN3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27-25(30)19-21-29-23(2)24(26)22-28-29/h22H,3-21H2,1-2H3,(H,27,30)