N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)-7-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1H-indol-3-yl)-7-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-7-[3-(1-piperidyl)prop-1-ynyl]quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-7-[3-(1-piperidinyl)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1H-indol-3-yl)-7-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-2-(5-bromo-1H-indol-3-yl)-7-(3-piperidinoprop-1-ynyl)cinchoninamide Formula: C34H32BrN5O MolecularWeight: 606.55478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CC2=CC3=C(C=C2)C(=CC(=N3)C4=CNC5=C4C=C(C=C5)Br)C(=O)NCC6=CC=C(C=C6)CN

Isomeric SMILES

C1CCN(CC1)CC#CC2=CC3=C(C=C2)C(=CC(=N3)C4=CNC5=C4C=C(C=C5)Br)C(=O)NCC6=CC=C(C=C6)CN

InChI

InChI=1S/C34H32BrN5O/c35-26-11-13-31-28(18-26)30(22-37-31)33-19-29(34(41)38-21-25-8-6-24(20-36)7-9-25)27-12-10-23(17-32(27)39-33)5-4-16-40-14-2-1-3-15-40/h6-13,17-19,22,37H,1-3,14-16,20-21,36H2,(H,38,41)