N-(2-azanylethyl)-2-(5-bromanyl-1H-indol-3-yl)-7-chloranyl-6-[3-(phenethylamino)prop-1-ynyl]quinoline-4-carboxamide

Systemtic Name: N-(2-azanylethyl)-2-(5-bromanyl-1H-indol-3-yl)-7-chloranyl-6-[3-(phenethylamino)prop-1-ynyl]quinoline-4-carboxamide Openeye Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-[3-(phenethylamino)prop-1-ynyl]quinoline-4-carboxamide CAS Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-[3-(phenethylamino)prop-1-ynyl]-4-quinolinecarboxamide IUPAC Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-[3-(phenethylamino)prop-1-ynyl]quinoline-4-carboxamide Traditional Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-7-chloro-6-[3-(phenethylamino)prop-1-ynyl]cinchoninamide Formula: C31H27BrClN5O MolecularWeight: 600.93598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC#CC2=CC3=C(C=C2Cl)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=C2Cl)N=C(C=C3C(=O)NCCN)C4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C31H27BrClN5O/c32-22-8-9-28-24(16-22)26(19-37-28)29-17-25(31(39)36-14-11-34)23-15-21(27(33)18-30(23)38-29)7-4-12-35-13-10-20-5-2-1-3-6-20/h1-3,5-6,8-9,15-19,35,37H,10-14,34H2,(H,36,39)