1-[[2,3-bis(chloranyl)phenoxy]methyl]-N-octadecyl-pyrazole-3-carboxamide

Systemtic Name: 1-[[2,3-bis(chloranyl)phenoxy]methyl]-N-octadecyl-pyrazole-3-carboxamide Openeye Name: 1-[(2,3-dichlorophenoxy)methyl]-N-octadecyl-pyrazole-3-carboxamide CAS Name: 1-[(2,3-dichlorophenoxy)methyl]-N-octadecyl-3-pyrazolecarboxamide IUPAC Name: 1-[(2,3-dichlorophenoxy)methyl]-N-octadecylpyrazole-3-carboxamide Traditional Name: 1-[(2,3-dichlorophenoxy)methyl]-N-stearyl-pyrazole-3-carboxamide Formula: C29H45Cl2N3O2 MolecularWeight: 538.5925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H45Cl2N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-29(35)26-21-23-34(33-26)24-36-27-20-18-19-25(30)28(27)31/h18-21,23H,2-17,22,24H2,1H3,(H,32,35)