3-(2-azanyl-3-methyl-phenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one dihydrochloride

Systemtic Name: 3-(2-azanyl-3-methyl-phenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one dihydrochloride Openeye Name: 3-(2-amino-3-methyl-phenyl)-2-(2-diethylaminoethyl)isoindolin-1-one dihydrochloride CAS Name: 3-(2-amino-3-methylphenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one dihydrochloride IUPAC Name: 3-(2-amino-3-methylphenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one dihydrochloride Traditional Name: 3-(2-amino-3-methyl-phenyl)-2-(2-diethylaminoethyl)isoindolin-1-one dihydrochloride Formula: C21H29Cl2N3O MolecularWeight: 410.38046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O.2ClH/c1-4-23(5-2)13-14-24-20(18-12-8-9-15(3)19(18)22)16-10-6-7-11-17(16)21(24)25;;/h6-12,20H,4-5,13-14,22H2,1-3H3;2*1H