1-[5-hexyl-2,4-bis(oxidanyl)phenyl]-2-(1-phenylpyrazol-4-yl)ethanone

Systemtic Name: 1-[5-hexyl-2,4-bis(oxidanyl)phenyl]-2-(1-phenylpyrazol-4-yl)ethanone Openeye Name: 1-(5-hexyl-2,4-dihydroxy-phenyl)-2-(1-phenylpyrazol-4-yl)ethanone CAS Name: 1-(5-hexyl-2,4-dihydroxyphenyl)-2-(1-phenyl-4-pyrazolyl)ethanone IUPAC Name: 1-(5-hexyl-2,4-dihydroxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone Traditional Name: 1-(5-hexyl-2,4-dihydroxy-phenyl)-2-(1-phenylpyrazol-4-yl)ethanone Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C(=C1)C(=O)CC2=CN(N=C2)C3=CC=CC=C3)O)O

Isomeric SMILES

CCCCCCC1=C(C=C(C(=C1)C(=O)CC2=CN(N=C2)C3=CC=CC=C3)O)O

InChI

InChI=1S/C23H26N2O3/c1-2-3-4-6-9-18-13-20(23(28)14-21(18)26)22(27)12-17-15-24-25(16-17)19-10-7-5-8-11-19/h5,7-8,10-11,13-16,26,28H,2-4,6,9,12H2,1H3