4-dodecyl-5-methyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 4-dodecyl-5-methyl-2-phenyl-4H-pyrazol-3-one Openeye Name: 4-dodecyl-5-methyl-2-phenyl-4H-pyrazol-3-one CAS Name: 4-dodecyl-5-methyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: 4-dodecyl-5-methyl-2-phenyl-4H-pyrazol-3-one Traditional Name: 4-lauryl-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C22H34N2O MolecularWeight: 342.51816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1C(=NN(C1=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCC1C(=NN(C1=O)C2=CC=CC=C2)C

InChI

InChI=1S/C22H34N2O/c1-3-4-5-6-7-8-9-10-11-15-18-21-19(2)23-24(22(21)25)20-16-13-12-14-17-20/h12-14,16-17,21H,3-11,15,18H2,1-2H3