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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C1(CCCCN3CC4=CC=CC=C4C3=O)C5CCNCC5.Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C1(CCCCN3CC4=CC=CC=C4C3=O)C5CCNCC5.Cl

InChI

InChI=1S/C26H31N3O2.ClH/c1-28-24(30)22-10-4-5-11-23(22)26(28,20-12-15-27-16-13-20)14-6-7-17-29-18-19-8-2-3-9-21(19)25(29)31;/h2-5,8-11,20,27H,6-7,12-18H2,1H3;1H