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

Systemtic Name: 2-methyl-3-[3-(3-oxidanylidene-1H-isoindol-2-yl)propyl]-3-piperidin-4-yl-isoindol-1-one hydrochloride Openeye Name: 2-methyl-3-[3-(1-oxoisoindolin-2-yl)propyl]-3-(4-piperidyl)isoindolin-1-one hydrochloride CAS Name: 2-methyl-3-[3-(3-oxo-1H-isoindol-2-yl)propyl]-3-(4-piperidinyl)-1-isoindolone hydrochloride IUPAC Name: 2-methyl-3-[3-(3-oxo-1H-isoindol-2-yl)propyl]-3-piperidin-4-ylisoindol-1-one hydrochloride Traditional Name: 3-[3-(1-ketoisoindolin-2-yl)propyl]-2-methyl-3-(4-piperidyl)isoindolin-1-one hydrochloride Formula: C25H30ClN3O2 MolecularWeight: 439.9776

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C1(CCCN3CC4=CC=CC=C4C3=O)C5CCNCC5.Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C1(CCCN3CC4=CC=CC=C4C3=O)C5CCNCC5.Cl

InChI

InChI=1S/C25H29N3O2.ClH/c1-27-23(29)21-9-4-5-10-22(21)25(27,19-11-14-26-15-12-19)13-6-16-28-17-18-7-2-3-8-20(18)24(28)30;/h2-5,7-10,19,26H,6,11-17H2,1H3;1H