2-(4-bromanylpyrazol-1-yl)-N-octadecyl-butanamide

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-octadecyl-butanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-octadecyl-butanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-octadecylbutanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-octadecylbutanamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-stearyl-butyramide Formula: C25H46BrN3O MolecularWeight: 484.55624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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