3-[2-[5-[3-[4-bromanyl-1-methyl-2,5-bis(oxidanylidene)pyrrol-3-yl]-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(4-hydroxyphenyl)ethylamino]-1-methyl-pyrrole-2,5-dione

Systemtic Name: 3-[2-[5-[3-[4-bromanyl-1-methyl-2,5-bis(oxidanylidene)pyrrol-3-yl]-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(4-hydroxyphenyl)ethylamino]-1-methyl-pyrrole-2,5-dione Openeye Name: 3-[2-[5-[3-(4-bromo-1-methyl-2,5-dioxo-pyrrol-3-yl)-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(4-hydroxyphenyl)ethylamino]-1-methyl-pyrrole-2,5-dione CAS Name: 3-[2-[5-[3-(4-bromo-1-methyl-2,5-dioxo-3-pyrrolyl)-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(4-hydroxyphenyl)ethylamino]-1-methylpyrrole-2,5-dione IUPAC Name: 3-[2-[5-[3-(4-bromo-1-methyl-2,5-dioxopyrrol-3-yl)-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(4-hydroxyphenyl)ethylamino]-1-methylpyrrole-2,5-dione Traditional Name: 3-[2-[5-[3-(4-bromo-2,5-diketo-1-methyl-3-pyrrolin-3-yl)-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[2-(4-hydroxyphenyl)ethylamino]-1-methyl-3-pyrroline-2,5-quinone Formula: C39H36BrN5O5 MolecularWeight: 734.63764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C1=O)NCCC2=CC=C(C=C2)O)C3=C(NC4=CC=CC=C43)CCCCCC5=C(C6=CC=CC=C6N5)C7=C(C(=O)N(C7=O)C)Br

Isomeric SMILES

CN1C(=O)C(=C(C1=O)NCCC2=CC=C(C=C2)O)C3=C(NC4=CC=CC=C43)CCCCCC5=C(C6=CC=CC=C6N5)C7=C(C(=O)N(C7=O)C)Br

InChI

InChI=1S/C39H36BrN5O5/c1-44-36(47)32(34(40)38(44)49)30-24-10-6-8-12-26(24)42-28(30)14-4-3-5-15-29-31(25-11-7-9-13-27(25)43-29)33-35(39(50)45(2)37(33)48)41-21-20-22-16-18-23(46)19-17-22/h6-13,16-19,41-43,46H,3-5,14-15,20-21H2,1-2H3