4-bromanyl-5-heptadecyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 4-bromanyl-5-heptadecyl-2-phenyl-4H-pyrazol-3-one Openeye Name: 4-bromo-5-heptadecyl-2-phenyl-4H-pyrazol-3-one CAS Name: 4-bromo-5-heptadecyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: 4-bromo-5-heptadecyl-2-phenyl-4H-pyrazol-3-one Traditional Name: 4-bromo-5-heptadecyl-2-phenyl-2-pyrazolin-3-one Formula: C26H41BrN2O MolecularWeight: 477.52054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1Br)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1Br)C2=CC=CC=C2

InChI

InChI=1S/C26H41BrN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24-25(27)26(30)29(28-24)23-20-17-16-18-21-23/h16-18,20-21,25H,2-15,19,22H2,1H3