3-(7-azanyl-3-oxidanylidene-1H-isoindol-2-yl)piperidine-2,6-dione hydrate

Systemtic Name: 3-(7-azanyl-3-oxidanylidene-1H-isoindol-2-yl)piperidine-2,6-dione hydrate Openeye Name: 3-(4-amino-1-oxo-isoindolin-2-yl)piperidine-2,6-dione hydrate CAS Name: 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione hydrate IUPAC Name: 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione hydrate Traditional Name: 3-(4-amino-1-keto-isoindolin-2-yl)piperidine-2,6-quinone hydrate Formula: C26H28N6O7 MolecularWeight: 536.53652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N.C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N.O

Isomeric SMILES

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N.C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N.O

InChI

InChI=1S/2C13H13N3O3.H2O/c2*14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18;/h2*1-3,10H,4-6,14H2,(H,15,17,18);1H2