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

Systemtic Name: 2-[[1-(2-oxidanylidene-4-phenyl-butyl)piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride Openeye Name: 2-[[1-(2-oxo-4-phenyl-butyl)-4-piperidyl]methyl]isoindolin-1-one hydrochloride CAS Name: 2-[[1-(2-oxo-4-phenylbutyl)-4-piperidinyl]methyl]-3H-isoindol-1-one hydrochloride IUPAC Name: 2-[[1-(2-oxo-4-phenylbutyl)piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride Traditional Name: 2-[[1-(2-keto-4-phenyl-butyl)-4-piperidyl]methyl]isoindolin-1-one hydrochloride Formula: C24H29ClN2O2 MolecularWeight: 412.95226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC(=O)CCC4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC(=O)CCC4=CC=CC=C4.Cl

InChI

InChI=1S/C24H28N2O2.ClH/c27-22(11-10-19-6-2-1-3-7-19)18-25-14-12-20(13-15-25)16-26-17-21-8-4-5-9-23(21)24(26)28;/h1-9,20H,10-18H2;1H