3-(2-azanyl-5-chloranyl-phenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one dihydrochloride

Systemtic Name: 3-(2-azanyl-5-chloranyl-phenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one dihydrochloride Openeye Name: 3-(2-amino-5-chloro-phenyl)-2-(2-diethylaminoethyl)isoindolin-1-one dihydrochloride CAS Name: 3-(2-amino-5-chlorophenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one dihydrochloride IUPAC Name: 3-(2-amino-5-chlorophenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one dihydrochloride Traditional Name: 3-(2-amino-5-chloro-phenyl)-2-(2-diethylaminoethyl)isoindolin-1-one dihydrochloride Formula: C20H26Cl3N3O MolecularWeight: 430.79894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O.2ClH/c1-3-23(4-2)11-12-24-19(17-13-14(21)9-10-18(17)22)15-7-5-6-8-16(15)20(24)25;;/h5-10,13,19H,3-4,11-12,22H2,1-2H3;2*1H