3-(2-azanyl-3,5-dimethyl-phenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one dihydrate dihydrochloride

Systemtic Name: 3-(2-azanyl-3,5-dimethyl-phenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one dihydrate dihydrochloride Openeye Name: 3-(2-amino-3,5-dimethyl-phenyl)-2-(2-diethylaminoethyl)isoindolin-1-one dihydrate dihydrochloride CAS Name: 3-(2-amino-3,5-dimethylphenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one dihydrate dihydrochloride IUPAC Name: 3-(2-amino-3,5-dimethylphenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one dihydrate dihydrochloride Traditional Name: 3-(2-amino-3,5-dimethyl-phenyl)-2-(2-diethylaminoethyl)isoindolin-1-one dihydrate dihydrochloride Formula: C22H35Cl2N3O3 MolecularWeight: 460.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=CC(=CC(=C3N)C)C.O.O.Cl.Cl

Isomeric SMILES

CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=CC(=CC(=C3N)C)C.O.O.Cl.Cl

InChI

InChI=1S/C22H29N3O.2ClH.2H2O/c1-5-24(6-2)11-12-25-21(17-9-7-8-10-18(17)22(25)26)19-14-15(3)13-16(4)20(19)23;;;;/h7-10,13-14,21H,5-6,11-12,23H2,1-4H3;2*1H;2*1H2