N-[1-(4-ethylphenyl)ethyl]-7,8-dimethyl-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[1-(4-ethylphenyl)ethyl]-7,8-dimethyl-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-[1-(4-ethylphenyl)ethyl]-7,8-dimethyl-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-[1-(4-ethylphenyl)ethyl]-7,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[1-(4-ethylphenyl)ethyl]-7,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-[1-(4-ethylphenyl)ethyl]-7,8-dimethyl-2-(2-pyridyl)cinchoninamide Formula: C27H27N3O MolecularWeight: 409.52278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)C2=CC(=NC3=C2C=CC(=C3C)C)C4=CC=CC=N4

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)C2=CC(=NC3=C2C=CC(=C3C)C)C4=CC=CC=N4

InChI

InChI=1S/C27H27N3O/c1-5-20-10-12-21(13-11-20)19(4)29-27(31)23-16-25(24-8-6-7-15-28-24)30-26-18(3)17(2)9-14-22(23)26/h6-16,19H,5H2,1-4H3,(H,29,31)