N-[(E)-(5-bromanyl-2,4-dimethoxy-phenyl)methylideneamino]-2-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: N-[(E)-(5-bromanyl-2,4-dimethoxy-phenyl)methylideneamino]-2-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-[(E)-(5-bromo-2,4-dimethoxy-phenyl)methyleneamino]-2-cyclopropyl-quinoline-4-carboxamide CAS Name: N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-cyclopropyl-4-quinolinecarboxamide IUPAC Name: N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-cyclopropylquinoline-4-carboxamide Traditional Name: N-[(E)-(5-bromo-2,4-dimethoxy-benzylidene)amino]-2-cyclopropyl-cinchoninamide Formula: C22H20BrN3O3 MolecularWeight: 454.3165

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=N/NC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4)Br)OC

InChI

InChI=1S/C22H20BrN3O3/c1-28-20-11-21(29-2)17(23)9-14(20)12-24-26-22(27)16-10-19(13-7-8-13)25-18-6-4-3-5-15(16)18/h3-6,9-13H,7-8H2,1-2H3,(H,26,27)/b24-12+