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

Systemtic Name: N-[(E)-(6-chloranyl-1,3-benzodioxol-5-yl)methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide Openeye Name: N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methyleneamino]-2-(4-propylphenyl)quinoline-4-carboxamide CAS Name: N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-(4-propylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide Traditional Name: N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methyleneamino]-2-(4-propylphenyl)cinchoninamide Formula: C27H22ClN3O3 MolecularWeight: 471.93488

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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=C4Cl)OCO5

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N/N=C/C4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C27H22ClN3O3/c1-2-5-17-8-10-18(11-9-17)24-13-21(20-6-3-4-7-23(20)30-24)27(32)31-29-15-19-12-25-26(14-22(19)28)34-16-33-25/h3-4,6-15H,2,5,16H2,1H3,(H,31,32)/b29-15+