2-[4-[4-[(3-oxidanylidene-1H-isoindol-2-yl)methyl]piperidin-1-yl]butyl]-3H-isoindol-1-one hydrochloride

Systemtic Name: 2-[4-[4-[(3-oxidanylidene-1H-isoindol-2-yl)methyl]piperidin-1-yl]butyl]-3H-isoindol-1-one hydrochloride Openeye Name: 2-[4-[4-[(1-oxoisoindolin-2-yl)methyl]-1-piperidyl]butyl]isoindolin-1-one hydrochloride CAS Name: 2-[4-[4-[(3-oxo-1H-isoindol-2-yl)methyl]-1-piperidinyl]butyl]-3H-isoindol-1-one hydrochloride IUPAC Name: 2-[4-[4-[(3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]butyl]-3H-isoindol-1-one hydrochloride Traditional Name: 2-[4-[4-[(1-ketoisoindolin-2-yl)methyl]piperidino]butyl]isoindolin-1-one hydrochloride Formula: C26H32ClN3O2 MolecularWeight: 454.00418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CCCCN4CC5=CC=CC=C5C4=O.Cl

Isomeric SMILES

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CCCCN4CC5=CC=CC=C5C4=O.Cl

InChI

InChI=1S/C26H31N3O2.ClH/c30-25-23-9-3-1-7-21(23)18-28(25)14-6-5-13-27-15-11-20(12-16-27)17-29-19-22-8-2-4-10-24(22)26(29)31;/h1-4,7-10,20H,5-6,11-19H2;1H