4-dodecanoyl-2,5-diphenyl-1H-pyrazol-3-one

Systemtic Name: 4-dodecanoyl-2,5-diphenyl-1H-pyrazol-3-one Openeye Name: 4-dodecanoyl-2,5-diphenyl-1H-pyrazol-3-one CAS Name: 4-(1-oxododecyl)-2,5-diphenyl-1H-pyrazol-3-one IUPAC Name: 4-dodecanoyl-2,5-diphenyl-1H-pyrazol-3-one Traditional Name: 4-lauroyl-2,5-diphenyl-3-pyrazolin-3-one Formula: C27H34N2O2 MolecularWeight: 418.57106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(NN(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H34N2O2/c1-2-3-4-5-6-7-8-9-16-21-24(30)25-26(22-17-12-10-13-18-22)28-29(27(25)31)23-19-14-11-15-20-23/h10-15,17-20,28H,2-9,16,21H2,1H3