6-bromanyl-N-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-(3-imidazol-1-ylpropyl)-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[3-(1-imidazolyl)propyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(3-imidazol-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: 6-bromo-N-(3-imidazol-1-ylpropyl)-2-(4-pyridyl)cinchoninamide Formula: C21H18BrN5O MolecularWeight: 436.30452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=CC(=N2)C3=CC=NC=C3)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=CC(=N2)C3=CC=NC=C3)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C21H18BrN5O/c22-16-2-3-19-17(12-16)18(13-20(26-19)15-4-7-23-8-5-15)21(28)25-6-1-10-27-11-9-24-14-27/h2-5,7-9,11-14H,1,6,10H2,(H,25,28)