5-bromanyl-2-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 5-bromanyl-2-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[4-[4-(2-hydroxyphenyl)-1-piperazinyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[4-[4-(2-hydroxyphenyl)piperazino]-4-keto-butyl]isoindoline-1,3-quinone Formula: C22H22BrN3O4 MolecularWeight: 472.33178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2O)C(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2O)C(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3O4/c23-15-7-8-16-17(14-15)22(30)26(21(16)29)9-3-6-20(28)25-12-10-24(11-13-25)18-4-1-2-5-19(18)27/h1-2,4-5,7-8,14,27H,3,6,9-13H2