1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-N-octadecyl-pyrazole-3-carboxamide

Systemtic Name: 1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-N-octadecyl-pyrazole-3-carboxamide Openeye Name: 1-[(2-bromo-4-chloro-phenoxy)methyl]-N-octadecyl-pyrazole-3-carboxamide CAS Name: 1-[(2-bromo-4-chlorophenoxy)methyl]-N-octadecyl-3-pyrazolecarboxamide IUPAC Name: 1-[(2-bromo-4-chlorophenoxy)methyl]-N-octadecylpyrazole-3-carboxamide Traditional Name: 1-[(2-bromo-4-chloro-phenoxy)methyl]-N-stearyl-pyrazole-3-carboxamide Formula: C29H45BrClN3O2 MolecularWeight: 583.0435

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)Cl)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)Cl)Br

InChI

InChI=1S/C29H45BrClN3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32-29(35)27-20-22-34(33-27)24-36-28-19-18-25(31)23-26(28)30/h18-20,22-23H,2-17,21,24H2,1H3,(H,32,35)