N-[[4-(aminomethyl)phenyl]methyl]-8-bromanyl-2-(5-chloranyl-1H-indol-3-yl)quinoline-4-carboxamide

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-8-bromanyl-2-(5-chloranyl-1H-indol-3-yl)quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-8-bromo-2-(5-chloro-1H-indol-3-yl)quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-8-bromo-2-(5-chloro-1H-indol-3-yl)-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-8-bromo-2-(5-chloro-1H-indol-3-yl)quinoline-4-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-8-bromo-2-(5-chloro-1H-indol-3-yl)cinchoninamide Formula: C26H20BrClN4O MolecularWeight: 519.8202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Br)N=C(C=C2C(=O)NCC3=CC=C(C=C3)CN)C4=CNC5=C4C=C(C=C5)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)Br)N=C(C=C2C(=O)NCC3=CC=C(C=C3)CN)C4=CNC5=C4C=C(C=C5)Cl

InChI

InChI=1S/C26H20BrClN4O/c27-22-3-1-2-18-20(26(33)31-13-16-6-4-15(12-29)5-7-16)11-24(32-25(18)22)21-14-30-23-9-8-17(28)10-19(21)23/h1-11,14,30H,12-13,29H2,(H,31,33)