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

Systemtic Name: N-[(E)-1,3-benzodioxol-4-ylmethylideneamino]-2-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-4-ylmethyleneamino]-2-cyclopropyl-quinoline-4-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-4-ylmethylideneamino]-2-cyclopropyl-4-quinolinecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-4-ylmethylideneamino]-2-cyclopropylquinoline-4-carboxamide Traditional Name: N-[(E)-1,3-benzodioxol-4-ylmethyleneamino]-2-cyclopropyl-cinchoninamide Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)N/N=C/C4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C21H17N3O3/c25-21(24-22-11-14-4-3-7-19-20(14)27-12-26-19)16-10-18(13-8-9-13)23-17-6-2-1-5-15(16)17/h1-7,10-11,13H,8-9,12H2,(H,24,25)/b22-11+