N-(5-bromanylpyridin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(5-bromo-2-pyridyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(5-bromo-2-pyridyl)-2-(1,3,5-trimethylpyrazol-4-yl)cinchoninamide Formula: C21H18BrN5O MolecularWeight: 436.30452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN5O/c1-12-20(13(2)27(3)26-12)18-10-16(15-6-4-5-7-17(15)24-18)21(28)25-19-9-8-14(22)11-23-19/h4-11H,1-3H3,(H,23,25,28)