5,5-dimethyl-2-[2-[4-[(1S)-3-oxidanylidene-1H-2-benzofuran-1-yl]piperazin-1-yl]ethyliminomethyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[2-[4-[(1S)-3-oxidanylidene-1H-2-benzofuran-1-yl]piperazin-1-yl]ethyliminomethyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[2-[4-[(1S)-3-oxo-1H-isobenzofuran-1-yl]piperazin-1-yl]ethyliminomethyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[2-[4-[(1S)-3-oxo-1H-isobenzofuran-1-yl]-1-piperazinyl]ethyliminomethyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[2-[4-[(1S)-3-oxo-1H-2-benzofuran-1-yl]piperazin-1-yl]ethyliminomethyl]cyclohexane-1,3-dione Traditional Name: 2-[2-[4-[(1S)-3-ketophthalan-1-yl]piperazino]ethyliminomethyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C=NCCN2CCN(CC2)C3C4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C=NCCN2CCN(CC2)[C@@H]3C4=CC=CC=C4C(=O)O3)C

InChI

InChI=1S/C23H29N3O4/c1-23(2)13-19(27)18(20(28)14-23)15-24-7-8-25-9-11-26(12-10-25)21-16-5-3-4-6-17(16)22(29)30-21/h3-6,15,18,21H,7-14H2,1-2H3/t21-/m0/s1