(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-[(2-pyrrolidin-1-yl-4-pyridyl)methyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-N-[[2-(1-pyrrolidinyl)-4-pyridinyl]methyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-[(2-pyrrolidino-4-pyridyl)methyl]acrylamide Formula: C19H19BrFN3O MolecularWeight: 404.276063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=CC(=C2)CNC(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1CCN(C1)C2=NC=CC(=C2)CNC(=O)/C=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C19H19BrFN3O/c20-16-4-5-17(21)15(12-16)3-6-19(25)23-13-14-7-8-22-18(11-14)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10,13H2,(H,23,25)/b6-3+