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

Systemtic Name: 6-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-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=C(C=C3)Cl)C4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4)OC

InChI

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