N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)-6,7-dimethoxy-quinoline-4-carboxamide

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)-6,7-dimethoxy-quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6,7-dimethoxy-quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6,7-dimethoxy-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6,7-dimethoxyquinoline-4-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-2-(5-bromo-1H-indol-3-yl)-6,7-dimethoxy-cinchoninamide Formula: C28H25BrN4O3 MolecularWeight: 545.4271

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CC(=N2)C3=CNC4=C3C=C(C=C4)Br)C(=O)NCC5=CC=C(C=C5)CN)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CC(=N2)C3=CNC4=C3C=C(C=C4)Br)C(=O)NCC5=CC=C(C=C5)CN)OC

InChI

InChI=1S/C28H25BrN4O3/c1-35-26-11-20-21(28(34)32-14-17-5-3-16(13-30)4-6-17)10-24(33-25(20)12-27(26)36-2)22-15-31-23-8-7-18(29)9-19(22)23/h3-12,15,31H,13-14,30H2,1-2H3,(H,32,34)