2-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]isoindole-1,3-dione dihydrochloride

Systemtic Name: 2-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]isoindole-1,3-dione dihydrochloride Openeye Name: 2-[3-(4-benzhydrylpiperazin-1-yl)propyl]isoindoline-1,3-dione dihydrochloride CAS Name: 2-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]isoindole-1,3-dione dihydrochloride IUPAC Name: 2-[3-(4-benzhydrylpiperazin-1-yl)propyl]isoindole-1,3-dione dihydrochloride Traditional Name: 2-[3-(4-benzhydrylpiperazino)propyl]isoindoline-1,3-quinone dihydrochloride Formula: C28H31Cl2N3O2 MolecularWeight: 512.47064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3C2=O)C(C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3C2=O)C(C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C28H29N3O2.2ClH/c32-27-24-14-7-8-15-25(24)28(33)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23;;/h1-8,10-15,26H,9,16-21H2;2*1H