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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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