5-bromanyl-3-[2-(4-fluoranylphenoxy)ethyl]-2-(piperidin-4-ylmethyl)-3H-isoindol-1-one hydrochloride

Systemtic Name: 5-bromanyl-3-[2-(4-fluoranylphenoxy)ethyl]-2-(piperidin-4-ylmethyl)-3H-isoindol-1-one hydrochloride Openeye Name: 5-bromo-3-[2-(4-fluorophenoxy)ethyl]-2-(4-piperidylmethyl)isoindolin-1-one hydrochloride CAS Name: 5-bromo-3-[2-(4-fluorophenoxy)ethyl]-2-(4-piperidinylmethyl)-3H-isoindol-1-one hydrochloride IUPAC Name: 5-bromo-3-[2-(4-fluorophenoxy)ethyl]-2-(piperidin-4-ylmethyl)-3H-isoindol-1-one hydrochloride Traditional Name: 5-bromo-3-[2-(4-fluorophenoxy)ethyl]-2-(4-piperidylmethyl)isoindolin-1-one hydrochloride Formula: C22H25BrClFN2O2 MolecularWeight: 483.801503

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CN2C(C3=C(C2=O)C=CC(=C3)Br)CCOC4=CC=C(C=C4)F.Cl

Isomeric SMILES

C1CNCCC1CN2C(C3=C(C2=O)C=CC(=C3)Br)CCOC4=CC=C(C=C4)F.Cl

InChI

InChI=1S/C22H24BrFN2O2.ClH/c23-16-1-6-19-20(13-16)21(9-12-28-18-4-2-17(24)3-5-18)26(22(19)27)14-15-7-10-25-11-8-15;/h1-6,13,15,21,25H,7-12,14H2;1H