N-(5-bromanylquinolin-8-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-(5-bromanylquinolin-8-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(5-bromo-8-quinolyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(5-bromo-8-quinolinyl)-2-(1,3,5-trimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(5-bromoquinolin-8-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(5-bromo-8-quinolyl)-2-(1,3,5-trimethylpyrazol-4-yl)cinchoninamide Formula: C25H20BrN5O MolecularWeight: 486.3632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C5C(=C(C=C4)Br)C=CC=N5

Isomeric SMILES

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C5C(=C(C=C4)Br)C=CC=N5

InChI

InChI=1S/C25H20BrN5O/c1-14-23(15(2)31(3)30-14)22-13-18(16-7-4-5-9-20(16)28-22)25(32)29-21-11-10-19(26)17-8-6-12-27-24(17)21/h4-13H,1-3H3,(H,29,32)