4-dodecanoyl-2-phenyl-1H-pyrazol-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=CNN(C1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=CNN(C1=O)C2=CC=CC=C2

InChI

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