2-(2-diethylaminoethyl)-6-(2,3-dimethylphenyl)-3H-isoindol-1-one dihydrochloride

Systemtic Name: 2-(2-diethylaminoethyl)-6-(2,3-dimethylphenyl)-3H-isoindol-1-one dihydrochloride Openeye Name: 2-(2-diethylaminoethyl)-6-(2,3-dimethylphenyl)isoindolin-1-one dihydrochloride CAS Name: 2-(2-diethylaminoethyl)-6-(2,3-dimethylphenyl)-3H-isoindol-1-one dihydrochloride IUPAC Name: 2-(2-diethylaminoethyl)-6-(2,3-dimethylphenyl)-3H-isoindol-1-one dihydrochloride Traditional Name: 2-(2-diethylaminoethyl)-6-(2,3-dimethylphenyl)isoindolin-1-one dihydrochloride Formula: C22H30Cl2N2O MolecularWeight: 409.3924

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1CC2=C(C1=O)C=C(C=C2)C3=C(C(=CC=C3)C)C.Cl.Cl

Isomeric SMILES

CCN(CC)CCN1CC2=C(C1=O)C=C(C=C2)C3=C(C(=CC=C3)C)C.Cl.Cl

InChI

InChI=1S/C22H28N2O.2ClH/c1-5-23(6-2)12-13-24-15-19-11-10-18(14-21(19)22(24)25)20-9-7-8-16(3)17(20)4;;/h7-11,14H,5-6,12-13,15H2,1-4H3;2*1H