N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-(3-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=CN=CC=C4)Br)OC

Isomeric SMILES

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

InChI

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