2-[1-(2,2-dimethyl-3-oxidanylidene-piperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-(2,2-dimethyl-3-oxidanylidene-piperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[1-benzyl-2-(2,2-dimethyl-3-oxo-piperazin-1-yl)-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[1-(2,2-dimethyl-3-oxo-1-piperazinyl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-(2,2-dimethyl-3-oxopiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[1-benzyl-2-keto-2-(3-keto-2,2-dimethyl-piperazino)ethyl]isoindoline-1,3-quinone Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NCCN1C(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1(C(=O)NCCN1C(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C23H23N3O4/c1-23(2)22(30)24-12-13-25(23)21(29)18(14-15-8-4-3-5-9-15)26-19(27)16-10-6-7-11-17(16)20(26)28/h3-11,18H,12-14H2,1-2H3,(H,24,30)