1-(4-octylphenoxy)-3-pyrazol-1-yl-propan-2-one

Systemtic Name: 1-(4-octylphenoxy)-3-pyrazol-1-yl-propan-2-one Openeye Name: 1-(4-octylphenoxy)-3-pyrazol-1-yl-propan-2-one CAS Name: 1-(4-octylphenoxy)-3-(1-pyrazolyl)-2-propanone IUPAC Name: 1-(4-octylphenoxy)-3-pyrazol-1-ylpropan-2-one Traditional Name: 1-(4-octylphenoxy)-3-pyrazol-1-yl-acetone Formula: C20H28N2O2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=CC=N2

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=CC=N2

InChI

InChI=1S/C20H28N2O2/c1-2-3-4-5-6-7-9-18-10-12-20(13-11-18)24-17-19(23)16-22-15-8-14-21-22/h8,10-15H,2-7,9,16-17H2,1H3