6-bromanyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(3-pyridyl)cinchoninamide Formula: C25H22BrN3O3 MolecularWeight: 492.36448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrN3O3/c1-15(16-6-9-23(31-2)24(11-16)32-3)28-25(30)20-13-22(17-5-4-10-27-14-17)29-21-8-7-18(26)12-19(20)21/h4-15H,1-3H3,(H,28,30)