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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-2-(5-methylfuran-2-yl)quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-2-(5-methyl-2-furyl)quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-2-(5-methyl-2-furanyl)-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-2-(5-methylfuran-2-yl)quinoline-4-carboxamide Traditional Name: 6-bromo-2-(5-methyl-2-furyl)-N-piperonyl-cinchoninamide Formula: C23H17BrN2O4 MolecularWeight: 465.29608

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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)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H17BrN2O4/c1-13-2-6-20(30-13)19-10-17(16-9-15(24)4-5-18(16)26-19)23(27)25-11-14-3-7-21-22(8-14)29-12-28-21/h2-10H,11-12H2,1H3,(H,25,27)