3-octadecyl-1-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)pyrrolidine-2,5-dione

Systemtic Name: 3-octadecyl-1-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)pyrrolidine-2,5-dione Openeye Name: 3-octadecyl-1-(5-oxo-1-phenyl-4H-pyrazol-3-yl)pyrrolidine-2,5-dione CAS Name: 3-octadecyl-1-(5-oxo-1-phenyl-4H-pyrazol-3-yl)pyrrolidine-2,5-dione IUPAC Name: 3-octadecyl-1-(5-oxo-1-phenyl-4H-pyrazol-3-yl)pyrrolidine-2,5-dione Traditional Name: 1-(5-keto-1-phenyl-2-pyrazolin-3-yl)-3-stearyl-pyrrolidine-2,5-quinone Formula: C31H47N3O3 MolecularWeight: 509.72318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1CC(=O)N(C1=O)C2=NN(C(=O)C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1CC(=O)N(C1=O)C2=NN(C(=O)C2)C3=CC=CC=C3

InChI

InChI=1S/C31H47N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-26-24-29(35)33(31(26)37)28-25-30(36)34(32-28)27-22-19-17-20-23-27/h17,19-20,22-23,26H,2-16,18,21,24-25H2,1H3