N-(1,3-benzodioxol-5-yl)-6-bromanyl-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-bromanyl-2-(5-methylfuran-2-yl)quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-6-bromo-2-(5-methyl-2-furyl)quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-6-bromo-2-(5-methyl-2-furanyl)-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-6-bromo-2-(5-methyl-2-furyl)cinchoninamide Formula: C22H15BrN2O4 MolecularWeight: 451.2695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H15BrN2O4/c1-12-2-6-19(29-12)18-10-16(15-8-13(23)3-5-17(15)25-18)22(26)24-14-4-7-20-21(9-14)28-11-27-20/h2-10H,11H2,1H3,(H,24,26)