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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)NCC3=CC=C(C=C3)CN)I)C4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)NCC3=CC=C(C=C3)CN)I)C4=CNC5=C4C=C(C=C5)Br

InChI

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