N-[(E)-(6-chloranyl-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-methylpropyl)quinoline-4-carboxamide

Systemtic Name: N-[(E)-(6-chloranyl-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-methylpropyl)quinoline-4-carboxamide Openeye Name: N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methyleneamino]-2-isobutyl-quinoline-4-carboxamide CAS Name: N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-methylpropyl)-4-quinolinecarboxamide IUPAC Name: N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-methylpropyl)quinoline-4-carboxamide Traditional Name: N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methyleneamino]-2-isobutyl-cinchoninamide Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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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=C3Cl)OCO4

Isomeric SMILES

CC(C)CC1=NC2=CC=CC=C2C(=C1)C(=O)N/N=C/C3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C22H20ClN3O3/c1-13(2)7-15-9-17(16-5-3-4-6-19(16)25-15)22(27)26-24-11-14-8-20-21(10-18(14)23)29-12-28-20/h3-6,8-11,13H,7,12H2,1-2H3,(H,26,27)/b24-11+