N-[(E)-(3-bromanyl-4,5-dimethoxy-phenyl)methylideneamino]-2-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: N-[(E)-(3-bromanyl-4,5-dimethoxy-phenyl)methylideneamino]-2-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-[(E)-(3-bromo-4,5-dimethoxy-phenyl)methyleneamino]-2-cyclopropyl-quinoline-4-carboxamide CAS Name: N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-cyclopropyl-4-quinolinecarboxamide IUPAC Name: N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-cyclopropylquinoline-4-carboxamide Traditional Name: N-[(E)-(3-bromo-4,5-dimethoxy-benzylidene)amino]-2-cyclopropyl-cinchoninamide Formula: C22H20BrN3O3 MolecularWeight: 454.3165

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4)Br)OC

Isomeric SMILES

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

InChI

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