4-dodecanoyl-4-phenyl-1H-pyrazol-5-one

Systemtic Name: 4-dodecanoyl-4-phenyl-1H-pyrazol-5-one Openeye Name: 4-dodecanoyl-4-phenyl-1H-pyrazol-5-one CAS Name: 4-(1-oxododecyl)-4-phenyl-1H-pyrazol-5-one IUPAC Name: 4-dodecanoyl-4-phenyl-1H-pyrazol-5-one Traditional Name: 4-lauroyl-4-phenyl-2-pyrazolin-3-one Formula: C21H30N2O2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1(C=NNC1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC(=O)C1(C=NNC1=O)C2=CC=CC=C2

InChI

InChI=1S/C21H30N2O2/c1-2-3-4-5-6-7-8-9-13-16-19(24)21(17-22-23-20(21)25)18-14-11-10-12-15-18/h10-12,14-15,17H,2-9,13,16H2,1H3,(H,23,25)