5,6-bis[[4-(diethylamino)phenyl]amino]isoindole-1,3-dione dihydrochloride

Systemtic Name: 5,6-bis[[4-(diethylamino)phenyl]amino]isoindole-1,3-dione dihydrochloride Openeye Name: 5,6-bis[4-(diethylamino)anilino]isoindoline-1,3-dione dihydrochloride CAS Name: 5,6-bis[4-(diethylamino)anilino]isoindole-1,3-dione dihydrochloride IUPAC Name: 5,6-bis[4-(diethylamino)anilino]isoindole-1,3-dione dihydrochloride Traditional Name: 5,6-bis[4-(diethylamino)anilino]isoindoline-1,3-quinone dihydrochloride Formula: C28H35Cl2N5O2 MolecularWeight: 544.5158

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=CC=C(C=C4)N(CC)CC.Cl.Cl

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=CC=C(C=C4)N(CC)CC.Cl.Cl

InChI

InChI=1S/C28H33N5O2.2ClH/c1-5-32(6-2)21-13-9-19(10-14-21)29-25-17-23-24(28(35)31-27(23)34)18-26(25)30-20-11-15-22(16-12-20)33(7-3)8-4;;/h9-18,29-30H,5-8H2,1-4H3,(H,31,34,35);2*1H