5-pentadecyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 5-pentadecyl-2-phenyl-4H-pyrazol-3-one Openeye Name: 5-pentadecyl-2-phenyl-4H-pyrazol-3-one CAS Name: 5-pentadecyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-pentadecyl-2-phenyl-4H-pyrazol-3-one Traditional Name: 5-pentadecyl-2-phenyl-2-pyrazolin-3-one Formula: C24H38N2O MolecularWeight: 370.57132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=CC=CC=C2

InChI

InChI=1S/C24H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-22-21-24(27)26(25-22)23-19-16-14-17-20-23/h14,16-17,19-20H,2-13,15,18,21H2,1H3