N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-2-(2-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: 2-o-phenetyl-N-[(E)-piperonylideneamino]cinchoninamide Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)N/N=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21N3O4/c1-2-31-23-10-6-4-8-19(23)22-14-20(18-7-3-5-9-21(18)28-22)26(30)29-27-15-17-11-12-24-25(13-17)33-16-32-24/h3-15H,2,16H2,1H3,(H,29,30)/b27-15+