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

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)-7-methyl-quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-7-methyl-quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-7-methyl-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-7-methylquinoline-4-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-2-(5-bromo-1H-indol-3-yl)-7-methyl-cinchoninamide Formula: C27H23BrN4O MolecularWeight: 499.40172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=N2)C3=CNC4=C3C=C(C=C4)Br)C(=O)NCC5=CC=C(C=C5)CN

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=N2)C3=CNC4=C3C=C(C=C4)Br)C(=O)NCC5=CC=C(C=C5)CN

InChI

InChI=1S/C27H23BrN4O/c1-16-2-8-20-22(27(33)31-14-18-5-3-17(13-29)4-6-18)12-26(32-25(20)10-16)23-15-30-24-9-7-19(28)11-21(23)24/h2-12,15,30H,13-14,29H2,1H3,(H,31,33)