6-bromanyl-N-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-(3,4-dimethoxyphenyl)-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(3,4-dimethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: 6-bromo-N-(3,4-dimethoxyphenyl)-2-(4-pyridyl)cinchoninamide Formula: C23H18BrN3O3 MolecularWeight: 464.31132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=NC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=NC=C4)OC

InChI

InChI=1S/C23H18BrN3O3/c1-29-21-6-4-16(12-22(21)30-2)26-23(28)18-13-20(14-7-9-25-10-8-14)27-19-5-3-15(24)11-17(18)19/h3-13H,1-2H3,(H,26,28)