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

Systemtic Name: 3-[2-(4-fluoranylphenoxy)ethyl]-5-methoxy-2-(piperidin-4-ylmethyl)-3H-isoindol-1-one hydrochloride Openeye Name: 3-[2-(4-fluorophenoxy)ethyl]-5-methoxy-2-(4-piperidylmethyl)isoindolin-1-one hydrochloride CAS Name: 3-[2-(4-fluorophenoxy)ethyl]-5-methoxy-2-(4-piperidinylmethyl)-3H-isoindol-1-one hydrochloride IUPAC Name: 3-[2-(4-fluorophenoxy)ethyl]-5-methoxy-2-(piperidin-4-ylmethyl)-3H-isoindol-1-one hydrochloride Traditional Name: 3-[2-(4-fluorophenoxy)ethyl]-5-methoxy-2-(4-piperidylmethyl)isoindolin-1-one hydrochloride Formula: C23H28ClFN2O3 MolecularWeight: 434.931423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C2CCOC3=CC=C(C=C3)F)CC4CCNCC4.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C2CCOC3=CC=C(C=C3)F)CC4CCNCC4.Cl

InChI

InChI=1S/C23H27FN2O3.ClH/c1-28-19-6-7-20-21(14-19)22(10-13-29-18-4-2-17(24)3-5-18)26(23(20)27)15-16-8-11-25-12-9-16;/h2-7,14,16,22,25H,8-13,15H2,1H3;1H