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

Systemtic Name: 6-bromanyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: 6-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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