2-methyl-3-piperidin-4-yl-3-[2-(2-propoxyphenyl)ethyl]isoindol-1-one hydrochloride

Systemtic Name: 2-methyl-3-piperidin-4-yl-3-[2-(2-propoxyphenyl)ethyl]isoindol-1-one hydrochloride Openeye Name: 2-methyl-3-(4-piperidyl)-3-[2-(2-propoxyphenyl)ethyl]isoindolin-1-one hydrochloride CAS Name: 2-methyl-3-(4-piperidinyl)-3-[2-(2-propoxyphenyl)ethyl]-1-isoindolone hydrochloride IUPAC Name: 2-methyl-3-piperidin-4-yl-3-[2-(2-propoxyphenyl)ethyl]isoindol-1-one hydrochloride Traditional Name: 2-methyl-3-(4-piperidyl)-3-[2-(2-propoxyphenyl)ethyl]isoindolin-1-one hydrochloride Formula: C25H33ClN2O2 MolecularWeight: 428.99472

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1CCC2(C3=CC=CC=C3C(=O)N2C)C4CCNCC4.Cl

Isomeric SMILES

CCCOC1=CC=CC=C1CCC2(C3=CC=CC=C3C(=O)N2C)C4CCNCC4.Cl

InChI

InChI=1S/C25H32N2O2.ClH/c1-3-18-29-23-11-7-4-8-19(23)12-15-25(20-13-16-26-17-14-20)22-10-6-5-9-21(22)24(28)27(25)2;/h4-11,20,26H,3,12-18H2,1-2H3;1H