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

Systemtic Name: 8-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 8-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 8-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 8-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 8-chloro-N-homoveratryl-2-(3-pyridyl)cinchoninamide Formula: C25H22ClN3O3 MolecularWeight: 447.91348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NC3=C2C=CC=C3Cl)C4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NC3=C2C=CC=C3Cl)C4=CN=CC=C4)OC

InChI

InChI=1S/C25H22ClN3O3/c1-31-22-9-8-16(13-23(22)32-2)10-12-28-25(30)19-14-21(17-5-4-11-27-15-17)29-24-18(19)6-3-7-20(24)26/h3-9,11,13-15H,10,12H2,1-2H3,(H,28,30)