N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)-7-iodanyl-quinoline-4-carboxamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)-7-iodanyl-quinoline-4-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)-7-iodo-quinoline-4-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)-7-iodo-4-quinolinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)-7-iodoquinoline-4-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)-7-iodo-cinchoninamide Formula: C26H26BrIN4O MolecularWeight: 617.31931

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2=CC(=NC3=C2C=CC(=C3)I)C4=CNC5=C4C=C(C=C5)Br)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2=CC(=NC3=C2C=CC(=C3)I)C4=CNC5=C4C=C(C=C5)Br)CN

InChI

InChI=1S/C26H26BrIN4O/c27-17-4-7-23-20(9-17)22(14-30-23)25-11-21(19-6-5-18(28)10-24(19)32-25)26(33)31-13-16-3-1-2-15(8-16)12-29/h4-7,9-11,14-16,30H,1-3,8,12-13,29H2,(H,31,33)