(Z)-3-[3-(3-chloranyl-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide

Systemtic Name: (Z)-3-[3-(3-chloranyl-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide Openeye Name: (Z)-3-[3-(3-chloro-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide CAS Name: (Z)-3-[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-[3-(1-imidazolyl)propyl]-2-propenamide IUPAC Name: (Z)-3-[3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide Traditional Name: (Z)-3-[3-(3-chloro-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-imidazol-1-ylpropyl)acrylamide Formula: C27H25ClN6O2 MolecularWeight: 500.9794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)NCCCN3C=CN=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H25ClN6O2/c1-2-36-25-10-9-20(16-24(25)28)26-22(18-34(32-26)23-7-4-3-5-8-23)15-21(17-29)27(35)31-11-6-13-33-14-12-30-19-33/h3-5,7-10,12,14-16,18-19H,2,6,11,13H2,1H3,(H,31,35)/b21-15-