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

Systemtic Name: 6-bromanyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[3-(1-pyrazolylmethyl)phenyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[3-(pyrazol-1-ylmethyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: 6-bromo-N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(4-pyridyl)cinchoninamide Formula: C25H18BrN5O MolecularWeight: 484.34732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=NC=C4)CN5C=CC=N5

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=NC=C4)CN5C=CC=N5

InChI

InChI=1S/C25H18BrN5O/c26-19-5-6-23-21(14-19)22(15-24(30-23)18-7-10-27-11-8-18)25(32)29-20-4-1-3-17(13-20)16-31-12-2-9-28-31/h1-15H,16H2,(H,29,32)