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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-propyl-quinoline-4-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-2-propyl-quinoline-4-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-propyl-4-quinolinecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-propylquinoline-4-carboxamide Traditional Name: N-[(E)-piperonylideneamino]-2-propyl-cinchoninamide Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1)C(=O)NN=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1)C(=O)N/N=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19N3O3/c1-2-5-15-11-17(16-6-3-4-7-18(16)23-15)21(25)24-22-12-14-8-9-19-20(10-14)27-13-26-19/h3-4,6-12H,2,5,13H2,1H3,(H,24,25)/b22-12+