3-(2-azanyl-3,6-dimethyl-phenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one dihydrochloride

Systemtic Name: 3-(2-azanyl-3,6-dimethyl-phenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one dihydrochloride Openeye Name: 3-(2-amino-3,6-dimethyl-phenyl)-2-(2-diethylaminoethyl)isoindolin-1-one dihydrochloride CAS Name: 3-(2-amino-3,6-dimethylphenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one dihydrochloride IUPAC Name: 3-(2-amino-3,6-dimethylphenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one dihydrochloride Traditional Name: 3-(2-amino-3,6-dimethyl-phenyl)-2-(2-diethylaminoethyl)isoindolin-1-one dihydrochloride Formula: C22H31Cl2N3O MolecularWeight: 424.40704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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