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

Systemtic Name: 5-bromanyl-3-[2-(2-methoxyphenyl)ethyl]-2-(piperidin-4-ylmethyl)-3H-isoindol-1-one hydrochloride Openeye Name: 5-bromo-3-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidylmethyl)isoindolin-1-one hydrochloride CAS Name: 5-bromo-3-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidinylmethyl)-3H-isoindol-1-one hydrochloride IUPAC Name: 5-bromo-3-[2-(2-methoxyphenyl)ethyl]-2-(piperidin-4-ylmethyl)-3H-isoindol-1-one hydrochloride Traditional Name: 5-bromo-3-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidylmethyl)isoindolin-1-one hydrochloride Formula: C23H28BrClN2O2 MolecularWeight: 479.83762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC2C3=C(C=CC(=C3)Br)C(=O)N2CC4CCNCC4.Cl

Isomeric SMILES

COC1=CC=CC=C1CCC2C3=C(C=CC(=C3)Br)C(=O)N2CC4CCNCC4.Cl

InChI

InChI=1S/C23H27BrN2O2.ClH/c1-28-22-5-3-2-4-17(22)6-9-21-20-14-18(24)7-8-19(20)23(27)26(21)15-16-10-12-25-13-11-16;/h2-5,7-8,14,16,21,25H,6,9-13,15H2,1H3;1H