N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)-6-(3-pyrrolidin-1-ylprop-1-ynyl)quinoline-4-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)-6-(3-pyrrolidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-(3-pyrrolidin-1-ylprop-1-ynyl)quinoline-4-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-[3-(1-pyrrolidinyl)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-(3-pyrrolidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-2-(5-bromo-1H-indol-3-yl)-6-(3-pyrrolidinoprop-1-ynyl)cinchoninamide Formula: C33H30BrN5O MolecularWeight: 592.5282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)NCC4=CC=CC(=C4)CN)C5=CNC6=C5C=C(C=C6)Br

Isomeric SMILES

C1CCN(C1)CC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)NCC4=CC=CC(=C4)CN)C5=CNC6=C5C=C(C=C6)Br

InChI

InChI=1S/C33H30BrN5O/c34-25-9-11-30-27(17-25)29(21-36-30)32-18-28(33(40)37-20-24-6-3-5-23(15-24)19-35)26-16-22(8-10-31(26)38-32)7-4-14-39-12-1-2-13-39/h3,5-6,8-11,15-18,21,36H,1-2,12-14,19-20,35H2,(H,37,40)