(E)-3-(1-phenylpyrazol-4-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide Openeye Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]prop-2-enamide CAS Name: (E)-3-(1-phenyl-4-pyrazolyl)-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-2-propenamide IUPAC Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide Traditional Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]acrylamide Formula: C25H18N4O MolecularWeight: 390.43662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=CC(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C/C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C25H18N4O/c30-25(15-13-21-18-27-29(19-21)24-10-2-1-3-11-24)28-23-9-6-7-20(17-23)12-14-22-8-4-5-16-26-22/h1-11,13,15-19H,(H,28,30)/b15-13+