N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoranyl-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoranyl-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: 6-fluoro-N-homoveratryl-2-(4-pyridyl)cinchoninamide Formula: C25H22FN3O3 MolecularWeight: 431.458883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=NC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=NC=C4)OC

InChI

InChI=1S/C25H22FN3O3/c1-31-23-6-3-16(13-24(23)32-2)7-12-28-25(30)20-15-22(17-8-10-27-11-9-17)29-21-5-4-18(26)14-19(20)21/h3-6,8-11,13-15H,7,12H2,1-2H3,(H,28,30)