2-(5-bromanyl-1H-indol-3-yl)-N-[[4-(dimethylaminomethyl)cyclohexa-1,5-dien-1-yl]methyl]quinoline-4-carboxamide

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-N-[[4-(dimethylaminomethyl)cyclohexa-1,5-dien-1-yl]methyl]quinoline-4-carboxamide Openeye Name: 2-(5-bromo-1H-indol-3-yl)-N-[[4-(dimethylaminomethyl)cyclohexa-1,5-dien-1-yl]methyl]quinoline-4-carboxamide CAS Name: 2-(5-bromo-1H-indol-3-yl)-N-[[4-(dimethylaminomethyl)-1-cyclohexa-1,5-dienyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-N-[[4-(dimethylaminomethyl)cyclohexa-1,5-dien-1-yl]methyl]quinoline-4-carboxamide Traditional Name: 2-(5-bromo-1H-indol-3-yl)-N-[[4-(dimethylaminomethyl)cyclohexa-1,5-dien-1-yl]methyl]cinchoninamide Formula: C28H27BrN4O MolecularWeight: 515.44418

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

CN(C)CC1CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C28H27BrN4O/c1-33(2)17-19-9-7-18(8-10-19)15-31-28(34)23-14-27(32-26-6-4-3-5-21(23)26)24-16-30-25-12-11-20(29)13-22(24)25/h3-9,11-14,16,19,30H,10,15,17H2,1-2H3,(H,31,34)