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

Systemtic Name: 7-chloranyl-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3H-isoindol-1-one hydrochloride Openeye Name: 7-chloro-2-[4-methoxy-3-[2-(1-piperidyl)ethoxy]phenyl]isoindolin-1-one hydrochloride CAS Name: 7-chloro-2-[4-methoxy-3-[2-(1-piperidinyl)ethoxy]phenyl]-3H-isoindol-1-one hydrochloride IUPAC Name: 7-chloro-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3H-isoindol-1-one hydrochloride Traditional Name: 7-chloro-2-[4-methoxy-3-(2-piperidinoethoxy)phenyl]isoindolin-1-one hydrochloride Formula: C22H26Cl2N2O3 MolecularWeight: 437.35944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CC3=C(C2=O)C(=CC=C3)Cl)OCCN4CCCCC4.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2CC3=C(C2=O)C(=CC=C3)Cl)OCCN4CCCCC4.Cl

InChI

InChI=1S/C22H25ClN2O3.ClH/c1-27-19-9-8-17(14-20(19)28-13-12-24-10-3-2-4-11-24)25-15-16-6-5-7-18(23)21(16)22(25)26;/h5-9,14H,2-4,10-13,15H2,1H3;1H