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

Systemtic Name: 1-[(4-chloranyl-3-methyl-phenoxy)methyl]-N-octadecyl-pyrazole-3-carboxamide Openeye Name: 1-[(4-chloro-3-methyl-phenoxy)methyl]-N-octadecyl-pyrazole-3-carboxamide CAS Name: 1-[(4-chloro-3-methylphenoxy)methyl]-N-octadecyl-3-pyrazolecarboxamide IUPAC Name: 1-[(4-chloro-3-methylphenoxy)methyl]-N-octadecylpyrazole-3-carboxamide Traditional Name: 1-[(4-chloro-3-methyl-phenoxy)methyl]-N-stearyl-pyrazole-3-carboxamide Formula: C30H48ClN3O2 MolecularWeight: 518.17402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H48ClN3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-32-30(35)29-21-23-34(33-29)25-36-27-19-20-28(31)26(2)24-27/h19-21,23-24H,3-18,22,25H2,1-2H3,(H,32,35)