2-(2-diethylaminoethyl)-3-(4-dimethylaminophenyl)-3H-isoindol-1-one hydrate hydrochloride

Systemtic Name: 2-(2-diethylaminoethyl)-3-(4-dimethylaminophenyl)-3H-isoindol-1-one hydrate hydrochloride Openeye Name: 2-(2-diethylaminoethyl)-3-(4-dimethylaminophenyl)isoindolin-1-one hydrate hydrochloride CAS Name: 2-(2-diethylaminoethyl)-3-(4-dimethylaminophenyl)-3H-isoindol-1-one hydrate hydrochloride IUPAC Name: 2-(2-diethylaminoethyl)-3-(4-dimethylaminophenyl)-3H-isoindol-1-one hydrate hydrochloride Traditional Name: 2-(2-diethylaminoethyl)-3-(4-dimethylaminophenyl)isoindolin-1-one hydrate hydrochloride Formula: C22H32ClN3O2 MolecularWeight: 405.96138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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