6-bromanyl-2-(5-ethylthiophen-2-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-(5-ethylthiophen-2-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide Openeye Name: 6-bromo-2-(5-ethyl-2-thienyl)-N-(2-pyridylmethyl)quinoline-4-carboxamide CAS Name: 6-bromo-2-(5-ethyl-2-thiophenyl)-N-(2-pyridinylmethyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(5-ethylthiophen-2-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide Traditional Name: 6-bromo-2-(5-ethyl-2-thienyl)-N-(2-pyridylmethyl)cinchoninamide Formula: C22H18BrN3OS MolecularWeight: 452.36682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C22H18BrN3OS/c1-2-16-7-9-21(28-16)20-12-18(17-11-14(23)6-8-19(17)26-20)22(27)25-13-15-5-3-4-10-24-15/h3-12H,2,13H2,1H3,(H,25,27)