2-(4-butan-2-ylphenyl)-N-[(E)-(6-chloranyl-1,3-benzodioxol-5-yl)methylideneamino]quinoline-4-carboxamide

Systemtic Name: 2-(4-butan-2-ylphenyl)-N-[(E)-(6-chloranyl-1,3-benzodioxol-5-yl)methylideneamino]quinoline-4-carboxamide Openeye Name: N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methyleneamino]-2-(4-sec-butylphenyl)quinoline-4-carboxamide CAS Name: 2-(4-butan-2-ylphenyl)-N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-quinolinecarboxamide IUPAC Name: 2-(4-butan-2-ylphenyl)-N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]quinoline-4-carboxamide Traditional Name: N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methyleneamino]-2-(4-sec-butylphenyl)cinchoninamide Formula: C28H24ClN3O3 MolecularWeight: 485.96146

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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=C4Cl)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=C4Cl)OCO5

InChI

InChI=1S/C28H24ClN3O3/c1-3-17(2)18-8-10-19(11-9-18)25-13-22(21-6-4-5-7-24(21)31-25)28(33)32-30-15-20-12-26-27(14-23(20)29)35-16-34-26/h4-15,17H,3,16H2,1-2H3,(H,32,33)/b30-15+