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

Systemtic Name: 4-hexanoyl-2,5-diphenyl-1H-pyrazol-3-one Openeye Name: 4-hexanoyl-2,5-diphenyl-1H-pyrazol-3-one CAS Name: 4-(1-oxohexyl)-2,5-diphenyl-1H-pyrazol-3-one IUPAC Name: 4-hexanoyl-2,5-diphenyl-1H-pyrazol-3-one Traditional Name: 4-caproyl-2,5-diphenyl-3-pyrazolin-3-one Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2/c1-2-3-6-15-18(24)19-20(16-11-7-4-8-12-16)22-23(21(19)25)17-13-9-5-10-14-17/h4-5,7-14,22H,2-3,6,15H2,1H3