N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-bromanyl-2-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-bromanyl-2-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-6-bromo-2-cyclopropyl-quinoline-4-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-bromo-2-cyclopropyl-4-quinolinecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-bromo-2-cyclopropylquinoline-4-carboxamide Traditional Name: 6-bromo-2-cyclopropyl-N-[(E)-piperonylideneamino]cinchoninamide Formula: C21H16BrN3O3 MolecularWeight: 438.27404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NN=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N/N=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H16BrN3O3/c22-14-4-5-17-15(8-14)16(9-18(24-17)13-2-3-13)21(26)25-23-10-12-1-6-19-20(7-12)28-11-27-19/h1,4-10,13H,2-3,11H2,(H,25,26)/b23-10+