N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-homoveratryl-8-methyl-2-(3-pyridyl)cinchoninamide Formula: C26H25N3O3 MolecularWeight: 427.495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)NCCC3=CC(=C(C=C3)OC)OC)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)NCCC3=CC(=C(C=C3)OC)OC)C4=CN=CC=C4

InChI

InChI=1S/C26H25N3O3/c1-17-6-4-8-20-21(15-22(29-25(17)20)19-7-5-12-27-16-19)26(30)28-13-11-18-9-10-23(31-2)24(14-18)32-3/h4-10,12,14-16H,11,13H2,1-3H3,(H,28,30)