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

Systemtic Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-N-cyclohexyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-N-cyclohexyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-N-cyclohexyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]-N-cyclohexylprop-2-enamide Traditional Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-N-cyclohexyl-acrylamide Formula: C22H23N5O MolecularWeight: 373.45092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)CCC#N)C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)CCC#N)/C#N

InChI

InChI=1S/C22H23N5O/c23-12-7-13-27-16-19(21(26-27)17-8-3-1-4-9-17)14-18(15-24)22(28)25-20-10-5-2-6-11-20/h1,3-4,8-9,14,16,20H,2,5-7,10-11,13H2,(H,25,28)/b18-14+