N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide CAS Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)cinchoninamide Formula: C28H24FN3O4 MolecularWeight: 485.506263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)N(CCC#N)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)N(CCC#N)C4=CC=CC=C4F

InChI

InChI=1S/C28H24FN3O4/c1-34-25-15-18(16-26(35-2)27(25)36-3)23-17-20(19-9-4-6-11-22(19)31-23)28(33)32(14-8-13-30)24-12-7-5-10-21(24)29/h4-7,9-12,15-17H,8,14H2,1-3H3