(E)-2-cyano-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-N-(3-imidazol-1-ylpropyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-N-(3-imidazol-1-ylpropyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-N-(3-imidazol-1-ylpropyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-N-[3-(1-imidazolyl)propyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-(3-imidazol-1-ylpropyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-N-(3-imidazol-1-ylpropyl)acrylamide Formula: C25H21FN6O MolecularWeight: 440.472243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C=C(C#N)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)/C=C(\C#N)/C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C25H21FN6O/c26-22-9-7-19(8-10-22)24-21(17-32(30-24)23-5-2-1-3-6-23)15-20(16-27)25(33)29-11-4-13-31-14-12-28-18-31/h1-3,5-10,12,14-15,17-18H,4,11,13H2,(H,29,33)/b20-15+