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

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

Systemtic Name:1-[(3,5-dimethylphenoxy)methyl]-N-octadecyl-pyrazole-3-carboxamide
Openeye Name:1-[(3,5-dimethylphenoxy)methyl]-N-octadecyl-pyrazole-3-carboxamide
CAS Name:1-[(3,5-dimethylphenoxy)methyl]-N-octadecyl-3-pyrazolecarboxamide
IUPAC Name:1-[(3,5-dimethylphenoxy)methyl]-N-octadecylpyrazole-3-carboxamide
Traditional Name:1-[(3,5-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=CC(=CC(=C2)C)C


Isomeric SMILES

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


InChI

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


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