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

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromanyl-1-methyl-indol-3-yl)-6-(3-pyrrolidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methyl-indol-3-yl)-6-(3-pyrrolidin-1-ylprop-1-ynyl)quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methyl-3-indolyl)-6-[3-(1-pyrrolidinyl)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-2-(5-bromo-1-methylindol-3-yl)-6-(3-pyrrolidin-1-ylprop-1-ynyl)quinoline-4-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-2-(5-bromo-1-methyl-indol-3-yl)-6-(3-pyrrolidinoprop-1-ynyl)cinchoninamide Formula: C34H32BrN5O MolecularWeight: 606.55478

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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#CCN5CCCC5)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#CCN5CCCC5)C(=C3)C(=O)NCC6=CC=C(C=C6)CN

InChI

InChI=1S/C34H32BrN5O/c1-39-22-30(28-18-26(35)11-13-33(28)39)32-19-29(34(41)37-21-25-8-6-24(20-36)7-9-25)27-17-23(10-12-31(27)38-32)5-4-16-40-14-2-3-15-40/h6-13,17-19,22H,2-3,14-16,20-21,36H2,1H3,(H,37,41)