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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)quinoline-4-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)-4-quinolinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)cinchoninamide Formula: C26H27BrN4O MolecularWeight: 491.42278

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)Br)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)Br)CN

InChI

InChI=1S/C26H27BrN4O/c27-18-8-9-23-20(11-18)22(15-29-23)25-12-21(19-6-1-2-7-24(19)31-25)26(32)30-14-17-5-3-4-16(10-17)13-28/h1-2,6-9,11-12,15-17,29H,3-5,10,13-14,28H2,(H,30,32)