5-tert-butyl-2-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]isoindole-1,3-dione

Systemtic Name: 5-tert-butyl-2-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]isoindole-1,3-dione Openeye Name: 5-tert-butyl-2-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]isoindoline-1,3-dione CAS Name: 5-tert-butyl-2-[2-[2-(4-methyl-1-piperazinyl)phenyl]ethyl]isoindole-1,3-dione IUPAC Name: 5-tert-butyl-2-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]isoindole-1,3-dione Traditional Name: 5-tert-butyl-2-[2-[2-(4-methylpiperazino)phenyl]ethyl]isoindoline-1,3-quinone Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)C(=O)N(C2=O)CCC3=CC=CC=C3N4CCN(CC4)C

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)C(=O)N(C2=O)CCC3=CC=CC=C3N4CCN(CC4)C

InChI

InChI=1S/C25H31N3O2/c1-25(2,3)19-9-10-20-21(17-19)24(30)28(23(20)29)12-11-18-7-5-6-8-22(18)27-15-13-26(4)14-16-27/h5-10,17H,11-16H2,1-4H3