N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopropyl-quinoline-4-carboxamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopropyl-4-quinolinecarboxamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopropylquinoline-4-carboxamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopropyl-cinchoninamide Formula: C21H17BrN2O3 MolecularWeight: 425.27528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC5=C(C=C4Br)OCCO5

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC5=C(C=C4Br)OCCO5

InChI

InChI=1S/C21H17BrN2O3/c22-15-10-19-20(27-8-7-26-19)11-18(15)24-21(25)14-9-17(12-5-6-12)23-16-4-2-1-3-13(14)16/h1-4,9-12H,5-8H2,(H,24,25)