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

Systemtic Name: N-[(E)-(6-chloranyl-1,3-benzodioxol-5-yl)methylideneamino]-2-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methyleneamino]-2-cyclopropyl-quinoline-4-carboxamide CAS Name: N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-cyclopropyl-4-quinolinecarboxamide IUPAC Name: N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-cyclopropylquinoline-4-carboxamide Traditional Name: N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methyleneamino]-2-cyclopropyl-cinchoninamide Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)N/N=C/C4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C21H16ClN3O3/c22-16-9-20-19(27-11-28-20)7-13(16)10-23-25-21(26)15-8-18(12-5-6-12)24-17-4-2-1-3-14(15)17/h1-4,7-10,12H,5-6,11H2,(H,25,26)/b23-10+