1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-octadecyl-pyrazole-3-carboxamide

Systemtic Name: 1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-octadecyl-pyrazole-3-carboxamide Openeye Name: 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-octadecyl-pyrazole-3-carboxamide CAS Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-octadecyl-3-pyrazolecarboxamide IUPAC Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-octadecylpyrazole-3-carboxamide Traditional Name: 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-stearyl-pyrazole-3-carboxamide Formula: C31H50ClN3O2 MolecularWeight: 532.2006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H50ClN3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-33-31(36)29-20-22-35(34-29)25-37-28-23-26(2)30(32)27(3)24-28/h20,22-24H,4-19,21,25H2,1-3H3,(H,33,36)