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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-methylpropyl)quinoline-4-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-2-isobutyl-quinoline-4-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-methylpropyl)-4-quinolinecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-methylpropyl)quinoline-4-carboxamide Traditional Name: 2-isobutyl-N-[(E)-piperonylideneamino]cinchoninamide Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=CC=CC=C2C(=C1)C(=O)NN=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CC1=NC2=CC=CC=C2C(=C1)C(=O)N/N=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21N3O3/c1-14(2)9-16-11-18(17-5-3-4-6-19(17)24-16)22(26)25-23-12-15-7-8-20-21(10-15)28-13-27-20/h3-8,10-12,14H,9,13H2,1-2H3,(H,25,26)/b23-12+