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

Systemtic Name: N-octadecyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-octadecyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-octadecyl-1-[(4-phenylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-octadecyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-phenylphenoxy)methyl]-N-stearyl-pyrazole-3-carboxamide Formula: C35H51N3O2 MolecularWeight: 545.79834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=NN(C=C1)COC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=NN(C=C1)COC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C35H51N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-28-36-35(39)34-27-29-38(37-34)30-40-33-25-23-32(24-26-33)31-21-18-17-19-22-31/h17-19,21-27,29H,2-16,20,28,30H2,1H3,(H,36,39)