4-dodecanoyl-5-phenyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-dodecanoyl-5-phenyl-1,2-dihydropyrazol-3-one Openeye Name: 4-dodecanoyl-5-phenyl-1,2-dihydropyrazol-3-one CAS Name: 4-(1-oxododecyl)-5-phenyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-dodecanoyl-5-phenyl-1,2-dihydropyrazol-3-one Traditional Name: 4-lauroyl-5-phenyl-3-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/c1-2-3-4-5-6-7-8-9-13-16-18(24)19-20(22-23-21(19)25)17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3,(H2,22,23,25)