3-(2-aminophenyl)-2-[4-(diethylamino)butyl]-3H-isoindol-1-one dihydrochloride

Systemtic Name: 3-(2-aminophenyl)-2-[4-(diethylamino)butyl]-3H-isoindol-1-one dihydrochloride Openeye Name: 3-(2-aminophenyl)-2-[4-(diethylamino)butyl]isoindolin-1-one dihydrochloride CAS Name: 3-(2-aminophenyl)-2-[4-(diethylamino)butyl]-3H-isoindol-1-one dihydrochloride IUPAC Name: 3-(2-aminophenyl)-2-[4-(diethylamino)butyl]-3H-isoindol-1-one dihydrochloride Traditional Name: 3-(2-aminophenyl)-2-[4-(diethylamino)butyl]isoindolin-1-one dihydrochloride Formula: C22H31Cl2N3O MolecularWeight: 424.40704

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCN1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3N.Cl.Cl

Isomeric SMILES

CCN(CC)CCCCN1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3N.Cl.Cl

InChI

InChI=1S/C22H29N3O.2ClH/c1-3-24(4-2)15-9-10-16-25-21(19-13-7-8-14-20(19)23)17-11-5-6-12-18(17)22(25)26;;/h5-8,11-14,21H,3-4,9-10,15-16,23H2,1-2H3;2*1H