N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1-methyl-indol-3-yl)-6-iodanyl-quinoline-4-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1-methyl-indol-3-yl)-6-iodanyl-quinoline-4-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methyl-indol-3-yl)-6-iodo-quinoline-4-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methyl-3-indolyl)-6-iodo-4-quinolinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)-6-iodoquinoline-4-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-2-(5-bromo-1-methyl-indol-3-yl)-6-iodo-cinchoninamide Formula: C27H22BrIN4O MolecularWeight: 625.29825

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=C(C=C4)I)C(=C3)C(=O)NCC5=CC=CC(=C5)CN

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=C(C=C4)I)C(=C3)C(=O)NCC5=CC=CC(=C5)CN

InChI

InChI=1S/C27H22BrIN4O/c1-33-15-23(21-10-18(28)5-8-26(21)33)25-12-22(20-11-19(29)6-7-24(20)32-25)27(34)31-14-17-4-2-3-16(9-17)13-30/h2-12,15H,13-14,30H2,1H3,(H,31,34)