2-(1,3-benzodioxol-5-yl)-6-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-6-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-6-methoxy-N-(3-morpholinopropyl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-6-methoxy-N-[3-(4-morpholinyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-6-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-6-methoxy-N-(3-morpholinopropyl)cinchoninamide Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C=C2C(=O)NCCCN3CCOCC3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C=C2C(=O)NCCCN3CCOCC3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N3O5/c1-30-18-4-5-21-19(14-18)20(25(29)26-7-2-8-28-9-11-31-12-10-28)15-22(27-21)17-3-6-23-24(13-17)33-16-32-23/h3-6,13-15H,2,7-12,16H2,1H3,(H,26,29)