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

Systemtic Name: (E)-2-cyano-N-cyclohexyl-3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-cyclohexyl-3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-cyclohexyl-3-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-cyclohexyl-3-[3-(3-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-cyclohexyl-3-[3-(3-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C29H32N4O2 MolecularWeight: 468.58998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3CCCCC3)C4=CC=CC=C4)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NC3CCCCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C29H32N4O2/c1-3-16-35-27-15-14-22(17-21(27)2)28-24(20-33(32-28)26-12-8-5-9-13-26)18-23(19-30)29(34)31-25-10-6-4-7-11-25/h5,8-9,12-15,17-18,20,25H,3-4,6-7,10-11,16H2,1-2H3,(H,31,34)/b23-18+