4,5-bis(bromanyl)-N-octadecyl-1H-pyrazole-3-carboxamide

Systemtic Name: 4,5-bis(bromanyl)-N-octadecyl-1H-pyrazole-3-carboxamide Openeye Name: 4,5-dibromo-N-octadecyl-1H-pyrazole-3-carboxamide CAS Name: 4,5-dibromo-N-octadecyl-1H-pyrazole-3-carboxamide IUPAC Name: 4,5-dibromo-N-octadecyl-1H-pyrazole-3-carboxamide Traditional Name: 4,5-dibromo-N-stearyl-1H-pyrazole-3-carboxamide Formula: C22H39Br2N3O MolecularWeight: 521.37256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=NNC(=C1Br)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=NNC(=C1Br)Br

InChI

InChI=1S/C22H39Br2N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-22(28)20-19(23)21(24)27-26-20/h2-18H2,1H3,(H,25,28)(H,26,27)