(E)-2-cyano-N-cyclohexyl-3-[3-(2-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-cyclohexyl-3-[3-(2-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[3-(4-allyloxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-cyclohexyl-prop-2-enamide CAS Name: (E)-2-cyano-N-cyclohexyl-3-[3-(2-methyl-4-prop-2-enoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-cyclohexyl-3-[3-(2-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-3-[3-(4-allyloxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-cyclohexyl-acrylamide Formula: C29H30N4O2 MolecularWeight: 466.5741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC=C)C2=NN(C=C2C=C(C#N)C(=O)NC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)OCC=C)C2=NN(C=C2/C=C(\C#N)/C(=O)NC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C29H30N4O2/c1-3-16-35-26-14-15-27(21(2)17-26)28-23(20-33(32-28)25-12-8-5-9-13-25)18-22(19-30)29(34)31-24-10-6-4-7-11-24/h3,5,8-9,12-15,17-18,20,24H,1,4,6-7,10-11,16H2,2H3,(H,31,34)/b22-18+