2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3H-isoindol-1-one hydrochloride

Systemtic Name: 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3H-isoindol-1-one hydrochloride Openeye Name: 2-[4-methoxy-3-[2-(1-piperidyl)ethoxy]phenyl]isoindolin-1-one hydrochloride CAS Name: 2-[4-methoxy-3-[2-(1-piperidinyl)ethoxy]phenyl]-3H-isoindol-1-one hydrochloride IUPAC Name: 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3H-isoindol-1-one hydrochloride Traditional Name: 2-[4-methoxy-3-(2-piperidinoethoxy)phenyl]isoindolin-1-one hydrochloride Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CC3=CC=CC=C3C2=O)OCCN4CCCCC4.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2CC3=CC=CC=C3C2=O)OCCN4CCCCC4.Cl

InChI

InChI=1S/C22H26N2O3.ClH/c1-26-20-10-9-18(24-16-17-7-3-4-8-19(17)22(24)25)15-21(20)27-14-13-23-11-5-2-6-12-23;/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3;1H