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

Systemtic Name: 5-methoxy-3-[2-(2-methoxyphenyl)ethyl]-2-(piperidin-4-ylmethyl)-3H-isoindol-1-one hydrochloride Openeye Name: 5-methoxy-3-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidylmethyl)isoindolin-1-one hydrochloride CAS Name: 5-methoxy-3-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidinylmethyl)-3H-isoindol-1-one hydrochloride IUPAC Name: 5-methoxy-3-[2-(2-methoxyphenyl)ethyl]-2-(piperidin-4-ylmethyl)-3H-isoindol-1-one hydrochloride Traditional Name: 5-methoxy-3-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidylmethyl)isoindolin-1-one hydrochloride Formula: C24H31ClN2O3 MolecularWeight: 430.96754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C2CCC3=CC=CC=C3OC)CC4CCNCC4.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C2CCC3=CC=CC=C3OC)CC4CCNCC4.Cl

InChI

InChI=1S/C24H30N2O3.ClH/c1-28-19-8-9-20-21(15-19)22(10-7-18-5-3-4-6-23(18)29-2)26(24(20)27)16-17-11-13-25-14-12-17;/h3-6,8-9,15,17,22,25H,7,10-14,16H2,1-2H3;1H