3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-N-(3-chloranyl-4-fluoranyl-phenyl)-2-cyano-prop-2-enamide

Systemtic Name: 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-N-(3-chloranyl-4-fluoranyl-phenyl)-2-cyano-prop-2-enamide Openeye Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-N-(3-chloro-4-fluoro-phenyl)-2-cyano-prop-2-enamide CAS Name: 3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-N-(3-chloro-4-fluorophenyl)-2-cyano-2-propenamide IUPAC Name: 3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-(3-chloro-4-fluorophenyl)-2-cyanoprop-2-enamide Traditional Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-N-(3-chloro-4-fluoro-phenyl)-2-cyano-acrylamide Formula: C27H16ClFN4O2 MolecularWeight: 482.892943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=C(C#N)C(=O)NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=C(C#N)C(=O)NC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C27H16ClFN4O2/c28-22-14-20(10-11-23(22)29)31-27(34)18(15-30)12-19-16-33(21-7-2-1-3-8-21)32-26(19)25-13-17-6-4-5-9-24(17)35-25/h1-14,16H,(H,31,34)