N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-(4-pyridyl)cinchoninamide Formula: C25H22BrN3O3 MolecularWeight: 492.36448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)Br)OC

InChI

InChI=1S/C25H22BrN3O3/c1-31-23-13-17(20(26)15-24(23)32-2)9-12-28-25(30)19-14-22(16-7-10-27-11-8-16)29-21-6-4-3-5-18(19)21/h3-8,10-11,13-15H,9,12H2,1-2H3,(H,28,30)