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

Systemtic Name: 2-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-phenyl-isoindole-1,3-dione Openeye Name: 2-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-phenyl-isoindoline-1,3-dione CAS Name: 2-[2-[2-(4-methyl-1-piperazinyl)phenyl]ethyl]-5-phenylisoindole-1,3-dione IUPAC Name: 2-[2-[2-(4-methylpiperazin-1-yl)phenyl]ethyl]-5-phenylisoindole-1,3-dione Traditional Name: 2-[2-[2-(4-methylpiperazino)phenyl]ethyl]-5-phenyl-isoindoline-1,3-quinone Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2CCN3C(=O)C4=C(C3=O)C=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2CCN3C(=O)C4=C(C3=O)C=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2/c1-28-15-17-29(18-16-28)25-10-6-5-9-21(25)13-14-30-26(31)23-12-11-22(19-24(23)27(30)32)20-7-3-2-4-8-20/h2-12,19H,13-18H2,1H3