N-(2-azanylethyl)-2-(5-bromanyl-1-methyl-indol-3-yl)-7-iodanyl-quinoline-4-carboxamide

Systemtic Name: N-(2-azanylethyl)-2-(5-bromanyl-1-methyl-indol-3-yl)-7-iodanyl-quinoline-4-carboxamide Openeye Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-indol-3-yl)-7-iodo-quinoline-4-carboxamide CAS Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-3-indolyl)-7-iodo-4-quinolinecarboxamide IUPAC Name: N-(2-aminoethyl)-2-(5-bromo-1-methylindol-3-yl)-7-iodoquinoline-4-carboxamide Traditional Name: N-(2-aminoethyl)-2-(5-bromo-1-methyl-indol-3-yl)-7-iodo-cinchoninamide Formula: C21H18BrIN4O MolecularWeight: 549.20229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=CC(=C4)I)C(=C3)C(=O)NCCN

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=CC(=C4)I)C(=C3)C(=O)NCCN

InChI

InChI=1S/C21H18BrIN4O/c1-27-11-17(15-8-12(22)2-5-20(15)27)19-10-16(21(28)25-7-6-24)14-4-3-13(23)9-18(14)26-19/h2-5,8-11H,6-7,24H2,1H3,(H,25,28)