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

Systemtic Name: 3-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-2-methyl-3-piperidin-4-yl-isoindol-1-one hydrochloride Openeye Name: 3-[2-(4-methoxyphenyl)-2-oxo-ethyl]-2-methyl-3-(4-piperidyl)isoindolin-1-one hydrochloride CAS Name: 3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methyl-3-(4-piperidinyl)-1-isoindolone hydrochloride IUPAC Name: 3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methyl-3-piperidin-4-ylisoindol-1-one hydrochloride Traditional Name: 3-[2-keto-2-(4-methoxyphenyl)ethyl]-2-methyl-3-(4-piperidyl)isoindolin-1-one hydrochloride Formula: C23H27ClN2O3 MolecularWeight: 414.92508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C1(CC(=O)C3=CC=C(C=C3)OC)C4CCNCC4.Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C1(CC(=O)C3=CC=C(C=C3)OC)C4CCNCC4.Cl

InChI

InChI=1S/C23H26N2O3.ClH/c1-25-22(27)19-5-3-4-6-20(19)23(25,17-11-13-24-14-12-17)15-21(26)16-7-9-18(28-2)10-8-16;/h3-10,17,24H,11-15H2,1-2H3;1H