(E)-4-[4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]phenyl]but-3-en-2-one

Systemtic Name: (E)-4-[4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]phenyl]but-3-en-2-one Openeye Name: (E)-4-[4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]phenyl]but-3-en-2-one CAS Name: (E)-4-[4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]phenyl]-3-buten-2-one IUPAC Name: (E)-4-[4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]phenyl]but-3-en-2-one Traditional Name: (E)-4-[4-[3-(4-hexoxyphenyl)-1H-pyrazol-5-yl]phenyl]but-3-en-2-one Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C3=CC=C(C=C3)C=CC(=O)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C3=CC=C(C=C3)/C=C/C(=O)C

InChI

InChI=1S/C25H28N2O2/c1-3-4-5-6-17-29-23-15-13-22(14-16-23)25-18-24(26-27-25)21-11-9-20(10-12-21)8-7-19(2)28/h7-16,18H,3-6,17H2,1-2H3,(H,26,27)/b8-7+