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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(C)N1C=C(C(=N1)C)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C(C)N1C=C(C(=N1)C)Br

InChI

InChI=1S/C25H46BrN3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-25(30)23(3)29-21-24(26)22(2)28-29/h21,23H,4-20H2,1-3H3,(H,27,30)