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

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1-methyl-indol-3-yl)-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methyl-indol-3-yl)-6-[3-(1-piperidyl)prop-1-ynyl]quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methyl-3-indolyl)-6-[3-(1-piperidinyl)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)-6-(3-piperidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-2-(5-bromo-1-methyl-indol-3-yl)-6-(3-piperidinoprop-1-ynyl)cinchoninamide Formula: C35H34BrN5O MolecularWeight: 620.58136

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=C(C=C4)C#CCN5CCCCC5)C(=C3)C(=O)NCC6=CC=C(C=C6)CN

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=C(C=C4)C#CCN5CCCCC5)C(=C3)C(=O)NCC6=CC=C(C=C6)CN

InChI

InChI=1S/C35H34BrN5O/c1-40-23-31(29-19-27(36)12-14-34(29)40)33-20-30(35(42)38-22-26-9-7-25(21-37)8-10-26)28-18-24(11-13-32(28)39-33)6-5-17-41-15-3-2-4-16-41/h7-14,18-20,23H,2-4,15-17,21-22,37H2,1H3,(H,38,42)