N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-chloro-N-piperonyl-2-(3-pyridyl)cinchoninamide Formula: C23H16ClN3O3 MolecularWeight: 417.84444

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CN=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CN=CC=C5

InChI

InChI=1S/C23H16ClN3O3/c24-16-4-5-19-17(9-16)18(10-20(27-19)15-2-1-7-25-12-15)23(28)26-11-14-3-6-21-22(8-14)30-13-29-21/h1-10,12H,11,13H2,(H,26,28)