4-iodanyl-N-octadecyl-1H-pyrazole-5-carboxamide

Systemtic Name: 4-iodanyl-N-octadecyl-1H-pyrazole-5-carboxamide Openeye Name: 4-iodo-N-octadecyl-1H-pyrazole-5-carboxamide CAS Name: 4-iodo-N-octadecyl-1H-pyrazole-5-carboxamide IUPAC Name: 4-iodo-N-octadecyl-1H-pyrazole-5-carboxamide Traditional Name: 4-iodo-N-stearyl-1H-pyrazole-5-carboxamide Formula: C22H40IN3O MolecularWeight: 489.47697

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C=NN1)I

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C=NN1)I

InChI

InChI=1S/C22H40IN3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-22(27)21-20(23)19-25-26-21/h19H,2-18H2,1H3,(H,24,27)(H,25,26)