3-octadecyl-1-(5-oxidanylidenepyrazol-3-yl)-1-phenyl-urea

Systemtic Name: 3-octadecyl-1-(5-oxidanylidenepyrazol-3-yl)-1-phenyl-urea Openeye Name: 3-octadecyl-1-(5-oxopyrazol-3-yl)-1-phenyl-urea CAS Name: 3-octadecyl-1-(5-oxo-3-pyrazolyl)-1-phenylurea IUPAC Name: 3-octadecyl-1-(5-oxopyrazol-3-yl)-1-phenylurea Traditional Name: 1-(5-ketopyrazol-3-yl)-1-phenyl-3-stearyl-urea Formula: C28H44N4O2 MolecularWeight: 468.67456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)N(C1=CC=CC=C1)C2=CC(=O)N=N2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)N(C1=CC=CC=C1)C2=CC(=O)N=N2

InChI

InChI=1S/C28H44N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-28(34)32(25-21-18-17-19-22-25)26-24-27(33)31-30-26/h17-19,21-22,24H,2-16,20,23H2,1H3,(H,29,34)