5-octadecanoyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 5-octadecanoyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-octadecanoyl-2-phenyl-1H-pyrazol-3-one CAS Name: 5-(1-oxooctadecyl)-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-octadecanoyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 2-phenyl-5-stearoyl-3-pyrazolin-3-one Formula: C27H42N2O2 MolecularWeight: 426.63458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=CC(=O)N(N1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=CC(=O)N(N1)C2=CC=CC=C2

InChI

InChI=1S/C27H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(30)25-23-27(31)29(28-25)24-20-17-16-18-21-24/h16-18,20-21,23,28H,2-15,19,22H2,1H3