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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoranyl-N-methyl-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-N-methyl-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-N-methyl-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: 6-fluoro-N-homoveratryl-N-methyl-2-(2-thienyl)cinchoninamide Formula: C25H23FN2O3S MolecularWeight: 450.525123

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C25H23FN2O3S/c1-28(11-10-16-6-9-22(30-2)23(13-16)31-3)25(29)19-15-21(24-5-4-12-32-24)27-20-8-7-17(26)14-18(19)20/h4-9,12-15H,10-11H2,1-3H3