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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-2-(4-propylphenyl)quinoline-4-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-propylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide Traditional Name: N-[(E)-piperonylideneamino]-2-(4-propylphenyl)cinchoninamide Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N/N=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H23N3O3/c1-2-5-18-8-11-20(12-9-18)24-15-22(21-6-3-4-7-23(21)29-24)27(31)30-28-16-19-10-13-25-26(14-19)33-17-32-25/h3-4,6-16H,2,5,17H2,1H3,(H,30,31)/b28-16+