N-(2-azanylethyl)-2-(5-bromanyl-1H-indol-3-yl)-6-[3-(phenethylamino)prop-1-ynyl]quinoline-4-carboxamide

Systemtic Name: N-(2-azanylethyl)-2-(5-bromanyl-1H-indol-3-yl)-6-[3-(phenethylamino)prop-1-ynyl]quinoline-4-carboxamide Openeye Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-6-[3-(phenethylamino)prop-1-ynyl]quinoline-4-carboxamide CAS Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-6-[3-(phenethylamino)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-6-[3-(phenethylamino)prop-1-ynyl]quinoline-4-carboxamide Traditional Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-6-[3-(phenethylamino)prop-1-ynyl]cinchoninamide Formula: C31H28BrN5O MolecularWeight: 566.49092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)NCCN)C4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)CCNCC#CC2=CC3=C(C=C2)N=C(C=C3C(=O)NCCN)C4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C31H28BrN5O/c32-23-9-11-28-25(18-23)27(20-36-28)30-19-26(31(38)35-16-13-33)24-17-22(8-10-29(24)37-30)7-4-14-34-15-12-21-5-2-1-3-6-21/h1-3,5-6,8-11,17-20,34,36H,12-16,33H2,(H,35,38)