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

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)-6-(3-piperazin-1-ylprop-1-ynyl)quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-(3-piperazin-1-ylprop-1-ynyl)quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-[3-(1-piperazinyl)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-6-(3-piperazin-1-ylprop-1-ynyl)quinoline-4-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-2-(5-bromo-1H-indol-3-yl)-6-(3-piperazinoprop-1-ynyl)cinchoninamide Formula: C33H31BrN6O MolecularWeight: 607.54284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)NCC4=CC=C(C=C4)CN)C5=CNC6=C5C=C(C=C6)Br

Isomeric SMILES

C1CN(CCN1)CC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)NCC4=CC=C(C=C4)CN)C5=CNC6=C5C=C(C=C6)Br

InChI

InChI=1S/C33H31BrN6O/c34-25-8-10-30-27(17-25)29(21-37-30)32-18-28(33(41)38-20-24-5-3-23(19-35)4-6-24)26-16-22(7-9-31(26)39-32)2-1-13-40-14-11-36-12-15-40/h3-10,16-18,21,36-37H,11-15,19-20,35H2,(H,38,41)