3-[3-(4-butoxy-3-fluoranyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-cyclohexyl-prop-2-enamide

Systemtic Name: 3-[3-(4-butoxy-3-fluoranyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-cyclohexyl-prop-2-enamide Openeye Name: 3-[3-(4-butoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-cyclohexyl-prop-2-enamide CAS Name: 3-[3-(4-butoxy-3-fluorophenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-cyclohexyl-2-propenamide IUPAC Name: 3-[3-(4-butoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-cyclohexylprop-2-enamide Traditional Name: 3-[3-(4-butoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-cyclohexyl-acrylamide Formula: C29H31FN4O2 MolecularWeight: 486.580443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3CCCCC3)C4=CC=CC=C4)F

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3CCCCC3)C4=CC=CC=C4)F

InChI

InChI=1S/C29H31FN4O2/c1-2-3-16-36-27-15-14-21(18-26(27)30)28-23(20-34(33-28)25-12-8-5-9-13-25)17-22(19-31)29(35)32-24-10-6-4-7-11-24/h5,8-9,12-15,17-18,20,24H,2-4,6-7,10-11,16H2,1H3,(H,32,35)