6-bromanyl-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-bromo-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-2-(3-pyridyl)cinchoninamide Formula: C22H20BrN5O MolecularWeight: 450.3311

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

CCN1C=C(C(=N1)C)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CN=CC=C4

InChI

InChI=1S/C22H20BrN5O/c1-3-28-13-16(14(2)27-28)12-25-22(29)19-10-21(15-5-4-8-24-11-15)26-20-7-6-17(23)9-18(19)20/h4-11,13H,3,12H2,1-2H3,(H,25,29)