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

Systemtic Name: 5-chloranyl-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3H-isoindol-1-one hydrochloride Openeye Name: 5-chloro-2-[4-methoxy-3-[2-(1-piperidyl)ethoxy]phenyl]isoindolin-1-one hydrochloride CAS Name: 5-chloro-2-[4-methoxy-3-[2-(1-piperidinyl)ethoxy]phenyl]-3H-isoindol-1-one hydrochloride IUPAC Name: 5-chloro-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-3H-isoindol-1-one hydrochloride Traditional Name: 5-chloro-2-[4-methoxy-3-(2-piperidinoethoxy)phenyl]isoindolin-1-one hydrochloride Formula: C22H26Cl2N2O3 MolecularWeight: 437.35944

Click to see the large picture

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