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

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)-6,7-dimethyl-quinoline-4-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6,7-dimethyl-quinoline-4-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6,7-dimethyl-4-quinolinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6,7-dimethylquinoline-4-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-2-(5-bromo-1H-indol-3-yl)-6,7-dimethyl-cinchoninamide Formula: C28H25BrN4O MolecularWeight: 513.4283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=N2)C3=CNC4=C3C=C(C=C4)Br)C(=O)NCC5=CC=CC(=C5)CN)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=N2)C3=CNC4=C3C=C(C=C4)Br)C(=O)NCC5=CC=CC(=C5)CN)C

InChI

InChI=1S/C28H25BrN4O/c1-16-8-21-23(28(34)32-14-19-5-3-4-18(10-19)13-30)12-27(33-26(21)9-17(16)2)24-15-31-25-7-6-20(29)11-22(24)25/h3-12,15,31H,13-14,30H2,1-2H3,(H,32,34)