N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoranyl-N-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoranyl-N-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-N-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-N-methyl-2-(1-methyl-2-pyrrolyl)-4-quinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-N-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide Traditional Name: 6-fluoro-N-homoveratryl-N-methyl-2-(1-methylpyrrol-2-yl)cinchoninamide Formula: C26H26FN3O3 MolecularWeight: 447.501343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NC3=C(C=C(C=C3)F)C(=C2)C(=O)N(C)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1C=CC=C1C2=NC3=C(C=C(C=C3)F)C(=C2)C(=O)N(C)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H26FN3O3/c1-29-12-5-6-23(29)22-16-20(19-15-18(27)8-9-21(19)28-22)26(31)30(2)13-11-17-7-10-24(32-3)25(14-17)33-4/h5-10,12,14-16H,11,13H2,1-4H3