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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-butan-2-ylphenyl)quinoline-4-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-2-(4-sec-butylphenyl)quinoline-4-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-butan-2-ylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-butan-2-ylphenyl)quinoline-4-carboxamide Traditional Name: N-[(E)-piperonylideneamino]-2-(4-sec-butylphenyl)cinchoninamide Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O3/c1-3-18(2)20-9-11-21(12-10-20)25-15-23(22-6-4-5-7-24(22)30-25)28(32)31-29-16-19-8-13-26-27(14-19)34-17-33-26/h4-16,18H,3,17H2,1-2H3,(H,31,32)/b29-16+