1-[(2,5-dimethylphenoxy)methyl]-N-octadecyl-pyrazole-3-carboxamide

Systemtic Name: 1-[(2,5-dimethylphenoxy)methyl]-N-octadecyl-pyrazole-3-carboxamide Openeye Name: 1-[(2,5-dimethylphenoxy)methyl]-N-octadecyl-pyrazole-3-carboxamide CAS Name: 1-[(2,5-dimethylphenoxy)methyl]-N-octadecyl-3-pyrazolecarboxamide IUPAC Name: 1-[(2,5-dimethylphenoxy)methyl]-N-octadecylpyrazole-3-carboxamide Traditional Name: 1-[(2,5-dimethylphenoxy)methyl]-N-stearyl-pyrazole-3-carboxamide Formula: C31H51N3O2 MolecularWeight: 497.75554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H51N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-32-31(35)29-22-24-34(33-29)26-36-30-25-27(2)20-21-28(30)3/h20-22,24-25H,4-19,23,26H2,1-3H3,(H,32,35)