6-bromanyl-2-phenyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-phenyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide Openeye Name: 6-bromo-2-phenyl-N-(3-pyridylmethyl)quinoline-4-carboxamide CAS Name: 6-bromo-2-phenyl-N-(3-pyridinylmethyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-phenyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide Traditional Name: 6-bromo-2-phenyl-N-(3-pyridylmethyl)cinchoninamide Formula: C22H16BrN3O MolecularWeight: 418.28594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H16BrN3O/c23-17-8-9-20-18(11-17)19(12-21(26-20)16-6-2-1-3-7-16)22(27)25-14-15-5-4-10-24-13-15/h1-13H,14H2,(H,25,27)