N-(2-cyanoethyl)-6-fluoranyl-2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

Systemtic Name: N-(2-cyanoethyl)-6-fluoranyl-2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide Openeye Name: N-(2-cyanoethyl)-6-fluoro-2-(4-fluorophenyl)-N-(3-pyridylmethyl)quinoline-4-carboxamide CAS Name: N-(2-cyanoethyl)-6-fluoro-2-(4-fluorophenyl)-N-(3-pyridinylmethyl)-4-quinolinecarboxamide IUPAC Name: N-(2-cyanoethyl)-6-fluoro-2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide Traditional Name: N-(2-cyanoethyl)-6-fluoro-2-(4-fluorophenyl)-N-(3-pyridylmethyl)cinchoninamide Formula: C25H18F2N4O MolecularWeight: 428.433426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)C(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)C(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H18F2N4O/c26-19-6-4-18(5-7-19)24-14-22(21-13-20(27)8-9-23(21)30-24)25(32)31(12-2-10-28)16-17-3-1-11-29-15-17/h1,3-9,11,13-15H,2,12,16H2