5,6-dimethoxy-3-[[1-(2-naphthalen-1-yl-1-oxidanyl-ethyl)piperidin-3-yl]methyl]-2,3-dihydroisoindol-1-one hydrochloride

Systemtic Name: 5,6-dimethoxy-3-[[1-(2-naphthalen-1-yl-1-oxidanyl-ethyl)piperidin-3-yl]methyl]-2,3-dihydroisoindol-1-one hydrochloride Openeye Name: 3-[[1-[1-hydroxy-2-(1-naphthyl)ethyl]-3-piperidyl]methyl]-5,6-dimethoxy-isoindolin-1-one hydrochloride CAS Name: 3-[[1-[1-hydroxy-2-(1-naphthalenyl)ethyl]-3-piperidinyl]methyl]-5,6-dimethoxy-2,3-dihydroisoindol-1-one hydrochloride IUPAC Name: 3-[[1-(1-hydroxy-2-naphthalen-1-ylethyl)piperidin-3-yl]methyl]-5,6-dimethoxy-2,3-dihydroisoindol-1-one hydrochloride Traditional Name: 3-[[1-[1-hydroxy-2-(1-naphthyl)ethyl]-3-piperidyl]methyl]-5,6-dimethoxy-isoindolin-1-one hydrochloride Formula: C28H33ClN2O4 MolecularWeight: 497.02562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(NC2=O)CC3CCCN(C3)C(CC4=CC=CC5=CC=CC=C54)O)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(NC2=O)CC3CCCN(C3)C(CC4=CC=CC5=CC=CC=C54)O)OC.Cl

InChI

InChI=1S/C28H32N2O4.ClH/c1-33-25-15-22-23(16-26(25)34-2)28(32)29-24(22)13-18-7-6-12-30(17-18)27(31)14-20-10-5-9-19-8-3-4-11-21(19)20;/h3-5,8-11,15-16,18,24,27,31H,6-7,12-14,17H2,1-2H3,(H,29,32);1H