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

Systemtic Name: N-[[4-[(2-azanylethanoylamino)methyl]phenyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)quinoline-4-carboxamide Openeye Name: N-[[4-[[(2-aminoacetyl)amino]methyl]phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide CAS Name: N-[[4-[[(2-amino-1-oxoethyl)amino]methyl]phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-4-quinolinecarboxamide IUPAC Name: N-[[4-[[(2-aminoacetyl)amino]methyl]phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide Traditional Name: 2-(5-bromo-1H-indol-3-yl)-N-[4-[(glycylamino)methyl]benzyl]cinchoninamide Formula: C28H24BrN5O2 MolecularWeight: 542.42646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24BrN5O2/c29-19-9-10-24-21(11-19)23(16-31-24)26-12-22(20-3-1-2-4-25(20)34-26)28(36)33-15-18-7-5-17(6-8-18)14-32-27(35)13-30/h1-12,16,31H,13-15,30H2,(H,32,35)(H,33,36)