2-[1-oxidanylidene-1-(2-pyridin-3-ylpiperidin-1-yl)propan-2-yl]isoindole-1,3-dione hydrate

Systemtic Name: 2-[1-oxidanylidene-1-(2-pyridin-3-ylpiperidin-1-yl)propan-2-yl]isoindole-1,3-dione hydrate Openeye Name: 2-[1-methyl-2-oxo-2-[2-(3-pyridyl)-1-piperidyl]ethyl]isoindoline-1,3-dione hydrate CAS Name: 2-[1-oxo-1-[2-(3-pyridinyl)-1-piperidinyl]propan-2-yl]isoindole-1,3-dione hydrate IUPAC Name: 2-[1-oxo-1-(2-pyridin-3-ylpiperidin-1-yl)propan-2-yl]isoindole-1,3-dione hydrate Traditional Name: 2-[2-keto-1-methyl-2-[2-(3-pyridyl)piperidino]ethyl]isoindoline-1,3-quinone hydrate Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1C2=CN=CC=C2)N3C(=O)C4=CC=CC=C4C3=O.O

Isomeric SMILES

CC(C(=O)N1CCCCC1C2=CN=CC=C2)N3C(=O)C4=CC=CC=C4C3=O.O

InChI

InChI=1S/C21H21N3O3.H2O/c1-14(24-20(26)16-8-2-3-9-17(16)21(24)27)19(25)23-12-5-4-10-18(23)15-7-6-11-22-13-15;/h2-3,6-9,11,13-14,18H,4-5,10,12H2,1H3;1H2